N-{2-[4-(2-Methoxyphenyl)-1-piperazinyl]ethyl}-N-(2-pyridinyl)cyclohexanecarboxamide (2Z)-2-butenedioate (1:1)

Basic Information

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CAS Number

634908-75-1

Molecular Formula

C29H38N4O6

Molecular Weight

538.65 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Solubility

H2O: 25 mg/mL

SMILES

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O=C(C1CCCCC1)N(CCN2CCN(C3=CC=CC=C3OC)CC2)C4=NC=CC=C4.O=C(O)/C=C\C(O)=O

InChI

InChI=1S/C25H34N4O2.C4H4O4/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21;5-3(6)1-2-4(7)8/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

XIGAHNVCEFUYOV-BTJKTKAUSA-N

LogP

3.5375000000000014

Topological Polar Surface Area

123.51000000000002 Å²

Hydrogen Bond Donor/Acceptor

2 / 10

Complexity

665

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

WAY-100635 maleate salt
(Z)-but-2-enedioic acid,N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
N-[2-[4-(2-METHOXYPHENYL)-1-PIPERAZINYL]ETHYL]-N-2-PYRIDINYL-CYCLOHEXANECARBOXAMIDE MALEATE
WAY 100635 maleate
WAY-100635
N-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-N-2-pyridinylcyclohexanecarboxamide maleate
N-[2-[4-(2-Methoxyphenyl)-1-piperazinyl]ethyl]-N-2-pyridinylcyclohexanecarboxamide maleate salt
WAY 100635 maleate salt
Way 100635
HMS3372O08
BCP02479
TRA0062337
AK547899
(Z)-but-2-enedioic acid;N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
WAY-100635 maleate

MDL Number

MFCD01321056

FAQ

What are the physical and chemical properties of N-{2-[4-(2-Methoxyphenyl)-1-piperazinyl]ethyl}-N-(2-pyridinyl)cyclohexanecarboxamide (2Z)-2-butenedioate (1:1) (CAS: 634908-75-1)?

This compound has a crystalline form with a molecular weight of approximately 632.5 g/mol. It is slightly soluble in water and has good solubility in organic solvents like methanol and acetonitrile. Chemically, it is stable under normal conditions but can react with strong acids and bases. Its reactivity is moderate, with potential for ring-opening reactions under certain conditions.

How is N-{2-[4-(2-Methoxyphenyl)-1-piperazinyl]ethyl}-N-(2-pyridinyl)cyclohexanecarboxamide (2Z)-2-butenedioate (1:1) (CAS: 634908-75-1) typically synthesized?

This compound is synthesized via a multi-step process involving the coupling of a piperazine derivative with a pyridine carboxamide, followed by the addition of a cyclohexanecarboxamide under mild conditions. The synthesis typically uses a palladium catalyst and requires careful control of temperature and reagent ratios to achieve high selectivity and yield.

What industries use N-{2-[4-(2-Methoxyphenyl)-1-piperazinyl]ethyl}-N-(2-pyridinyl)cyclohexanecarboxamide (2Z)-2-butenedioate (1:1) (CAS: 634908-75-1)?

This compound is primarily used in the pharmaceutical industry for its potential as a drug candidate. It may also have applications in the polymer and sensor industries due to its chemical reactivity and stability.

What precautions should be taken when handling N-{2-[4-(2-Methoxyphenyl)-1-piperazinyl]ethyl}-N-(2-pyridinyl)cyclohexanecarboxamide (2Z)-2-butenedioate (1:1) (CAS: 634908-75-1)?

When handling this compound, it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize inhalation risks. Spills should be cleaned up with caution, using appropriate absorbents, and disposing of materials according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling and safety information.

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Compound Q&A

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N-{2-[4-(2-Methoxyphenyl)-1-piperazinyl]ethyl}-N-(2-pyridinyl)cyclohexanecarboxamide (2Z)-2-butenedioate (1:1) | CAS No. 634908-75-1

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Solubility

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Complexity

Safety Information

Hazard Statement

Synonyms & References

English

MDL Number

FAQ

What are the physical and chemical properties of N-{2-[4-(2-Methoxyphenyl)-1-piperazinyl]ethyl}-N-(2-pyridinyl)cyclohexanecarboxamide (2Z)-2-butenedioate (1:1) (CAS: 634908-75-1)?

How is N-{2-[4-(2-Methoxyphenyl)-1-piperazinyl]ethyl}-N-(2-pyridinyl)cyclohexanecarboxamide (2Z)-2-butenedioate (1:1) (CAS: 634908-75-1) typically synthesized?

What industries use N-{2-[4-(2-Methoxyphenyl)-1-piperazinyl]ethyl}-N-(2-pyridinyl)cyclohexanecarboxamide (2Z)-2-butenedioate (1:1) (CAS: 634908-75-1)?

What precautions should be taken when handling N-{2-[4-(2-Methoxyphenyl)-1-piperazinyl]ethyl}-N-(2-pyridinyl)cyclohexanecarboxamide (2Z)-2-butenedioate (1:1) (CAS: 634908-75-1)?

Related Compounds

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