1-(1-cyclohexylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

• ChemBase ID: 661573
• Molecular Formular: C23H36N4O
• Molecular Mass: 384.55814
• Monoisotopic Mass: 384.28891179
• SMILES: N1(C2CCN(CC2)C2CCCCC2)CCC(C(=O)NCc2cnccc2)CC1
• Canonical SMILES: O=C(C1CCN(CC1)C1CCN(CC1)C1CCCCC1)NCc1cccnc1
• InChI: InChI=1S/C23H36N4O/c28-23(25-18-19-5-4-12-24-17-19)20-8-13-26(14-9-20)22-10-15-27(16-11-22)21-6-2-1-3-7-21/h4-5,12,17,20-22H,1-3,6-11,13-16,18H2,(H,25,28)
• InChIKey: QIOGPXITKJJUOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-cyclohexylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
• IUPAC Traditional name: 1-(1-cyclohexylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
• Synonyms: 1'-cyclohexyl-N-(3-pyridinylmethyl)-1,4'-bipiperidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.451841
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.762981
• LogD (pH = 7.4): -1.3691742
• Log P: 2.0128908
• Molar Refractivity: 114.0099 cm^3
• Polarizability: 44.65823 Å^3
• Polar Surface Area: 48.47 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.08
• LOG S: -3.02
• Polar Surface Area: 48.47 Å^2
• Rotatable Bonds: 5