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

• ChemBase ID: 489580
• Molecular Formular: C27H38N4O
• Molecular Mass: 434.61682
• Monoisotopic Mass: 434.30456186
• SMILES: C(=O)(N(Cc1cnccc1)C)C1CCN(C2CCN(CC2)CCCc2ccccc2)CC1
• Canonical SMILES: O=C(N(Cc1cccnc1)C)C1CCN(CC1)C1CCN(CC1)CCCc1ccccc1
• InChI: InChI=1S/C27H38N4O/c1-29(22-24-9-5-15-28-21-24)27(32)25-11-19-31(20-12-25)26-13-17-30(18-14-26)16-6-10-23-7-3-2-4-8-23/h2-5,7-9,15,21,25-26H,6,10-14,16-20,22H2,1H3
• InChIKey: VEGZUZKIANFMTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.642946
• LogD (pH = 7.4): -0.020665104
• Log P: 2.8949995
• Molar Refractivity: 131.861 cm^3
• Polarizability: 51.244015 Å^3
• Polar Surface Area: 39.68 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.63
• LOG S: -3.1
• Polar Surface Area: 39.68 Å^2
• Rotatable Bonds: 8