N-benzyl-1-(1-cyclopentanecarbonylpiperidin-4-yl)piperidine-3-carboxamide

• ChemBase ID: 865218
• Molecular Formular: C24H35N3O2
• Molecular Mass: 397.5536
• Monoisotopic Mass: 397.27292738
• SMILES: N1(C(=O)C2CCCC2)CCC(N2CC(C(=O)NCc3ccccc3)CCC2)CC1
• Canonical SMILES: O=C(C1CCCN(C1)C1CCN(CC1)C(=O)C1CCCC1)NCc1ccccc1
• InChI: InChI=1S/C24H35N3O2/c28-23(25-17-19-7-2-1-3-8-19)21-11-6-14-27(18-21)22-12-15-26(16-13-22)24(29)20-9-4-5-10-20/h1-3,7-8,20-22H,4-6,9-18H2,(H,25,28)
• InChIKey: NGHDKLYSESGYFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-1-(1-cyclopentanecarbonylpiperidin-4-yl)piperidine-3-carboxamide
• IUPAC Traditional name: N-benzyl-1-(1-cyclopentanecarbonylpiperidin-4-yl)piperidine-3-carboxamide
• Synonyms: N-benzyl-1'-(cyclopentylcarbonyl)-1,4'-bipiperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.617259
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.9098511
• LogD (pH = 7.4): 0.35066423
• Log P: 2.4830282
• Molar Refractivity: 115.871 cm^3
• Polarizability: 45.232613 Å^3
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.94
• LOG S: -3.78
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 5