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

• ChemBase ID: 639931
• Molecular Formular: C24H38N4O
• Molecular Mass: 398.58472
• Monoisotopic Mass: 398.30456186
• SMILES: C(=O)(C1CN(C2CCN(Cc3cnccc3)CC2)CCC1)N(C1CCCCC1)C
• Canonical SMILES: O=C(N(C1CCCCC1)C)C1CCCN(C1)C1CCN(CC1)Cc1cccnc1
• InChI: InChI=1S/C24H38N4O/c1-26(22-9-3-2-4-10-22)24(29)21-8-6-14-28(19-21)23-11-15-27(16-12-23)18-20-7-5-13-25-17-20/h5,7,13,17,21-23H,2-4,6,8-12,14-16,18-19H2,1H3
• InChIKey: PHPIQBQROAYIDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.2087972
• LogD (pH = 7.4): -0.28213888
• Log P: 2.3924744
• Molar Refractivity: 118.7526 cm^3
• Polarizability: 46.502415 Å^3
• Polar Surface Area: 39.68 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.49
• LOG S: -2.93
• Polar Surface Area: 39.68 Å^2
• Rotatable Bonds: 5