1-(1-cyclopentylpiperidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

• ChemBase ID: 711533
• Molecular Formular: C22H34N4O
• Molecular Mass: 370.53156
• Monoisotopic Mass: 370.27326173
• SMILES: N1(CC(C(=O)NCc2ncccc2)CCC1)C1CCN(CC1)C1CCCC1
• Canonical SMILES: O=C(C1CCCN(C1)C1CCN(CC1)C1CCCC1)NCc1ccccn1
• InChI: InChI=1S/C22H34N4O/c27-22(24-16-19-7-3-4-12-23-19)18-6-5-13-26(17-18)21-10-14-25(15-11-21)20-8-1-2-9-20/h3-4,7,12,18,20-21H,1-2,5-6,8-11,13-17H2,(H,24,27)
• InChIKey: CHXWIMJTRIFXRS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-cyclopentylpiperidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
• IUPAC Traditional name: 1-(1-cyclopentylpiperidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
• Synonyms: 1'-cyclopentyl-N-(2-pyridinylmethyl)-1,4'-bipiperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.268887
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.975016
• LogD (pH = 7.4): -1.580484
• Log P: 1.8057016
• Molar Refractivity: 108.7327 cm^3
• Polarizability: 42.81516 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: 1.58
• LOG S: -2.98
• Polar Surface Area: 48.47 Å^2
• Rotatable Bonds: 5