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Basic information
- CAS
162760-96-5- Standard SMILES
COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1- InChIKey
SBPRIAGPYFYCRT-UHFFFAOYSA-N- Molecular formula
- C25H34N4O2
- Average molar mass
- 422.6 g/mol
- Monoisotopic mass
- 422.26817634
Names & identifiers
- Preferred name
- Way 100635
- IUPAC
- N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
- English name
- Cyclohexanecarboxamide, N-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-N-2-pyridinyl-, hydrochloride (1:3)
- Molecular formula
- C25H34N4O2
- Molecular weight
- 422.56
Names & synonyms
WAY-100635162760-96-5Way 100635WAY-100,63571IH826FEGDTXSID20167467N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamideWAY 100,635N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-N-pyridin-2-ylcyclohexanecarboxamideWAY100,635RefChem:934174DTXCID3089958
Show more names
N-ethyl]piperazinyl]methoxyphenyl)WAY 100635cyclohexanecarboxamiWAY100635 TRIHYDROCHLORIDECyclohexanecarboxamide,N-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-N-2-pyridinyl-
cyclohexanecarboxamide, n-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-n-2-pyridinyl-WAY100635CHEMBL31354N-(2-(4-(2-Methoxyphenyl)piperazin-1-yl)ethyl)-N-(pyridin-2-yl)cyclohexanecarboxamideN-{2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}-N-(pyridin-2-yl)cyclohexanecarboxamideWAY-100635 maleate3YQY8P5QGXcyclohexanecarboxamide, N-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-N-2-pyridinyl-
Database identifiers
- CAS
162760-96-5- PubChem CID
- 5684
- DTXSID
DTXSID20167467- ChEMBL
CHEMBL31354- ChEBI
CHEBI:125619- UNII
- 71IH826FEG
- Nikkaji
- J607.982B
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 48.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 546
Physicochemical properties
- Melting point
- 145 oC · >145oC (dec.)
- Boiling point
- 594.8 · 594.8±50.0 °C(Predicted)
- Density
- 1.154 · 1.154±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Methanol (Slightly), Water (Slightly)
- form
- Solid
- pka
- 6.84 · 6.84±0.10(Predicted)
- color
- Off-White to Pale Yellow
- Stability
- Hygroscopic
- FDA UNII
- 71 IH826FEG · 71IH826FEG
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationDrugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or SEROTONIN RECEPTOR AGONISTS.
Applications
UsesWAY 100635 exhibits high affinity and efficacy at the dopamine D4 receptor (1,2,3). WAY 100635 is a potent 5-HT1A antagonist.
Upstream & downstream products
Upstream raw materials
Suppliers41 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
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HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
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Aladdin Scientific[email protected]
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济南九黎生物科技有限公司15865264761 · [email protected]
Additional notes
DefinitionChEBI: N-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-N-(2-pyridinyl)cyclohexanecarboxamide is a member of piperazines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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