1-[1-(cyclohexylmethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

• ChemBase ID: 417151
• Molecular Formular: C24H38N4O
• Molecular Mass: 398.58472
• Monoisotopic Mass: 398.30456186
• SMILES: N1(C2CCN(CC2)CC2CCCCC2)CCC(C(=O)NCc2cnccc2)CC1
• Canonical SMILES: O=C(C1CCN(CC1)C1CCN(CC1)CC1CCCCC1)NCc1cccnc1
• InChI: InChI=1S/C24H38N4O/c29-24(26-18-21-7-4-12-25-17-21)22-8-15-28(16-9-22)23-10-13-27(14-11-23)19-20-5-2-1-3-6-20/h4,7,12,17,20,22-23H,1-3,5-6,8-11,13-16,18-19H2,(H,26,29)
• InChIKey: XSOZHRYPSFWOGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-(cyclohexylmethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
• IUPAC Traditional name: 1-[1-(cyclohexylmethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
• Synonyms: 1'-(cyclohexylmethyl)-N-(3-pyridinylmethyl)-1,4'-bipiperidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.451842
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.5395951
• LogD (pH = 7.4): -1.1369675
• Log P: 2.3279037
• Molar Refractivity: 118.7407 cm^3
• Polarizability: 46.502384 Å^3
• Polar Surface Area: 48.47 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.79
• LOG S: -3.21
• Polar Surface Area: 48.47 Å^2
• Rotatable Bonds: 6