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

• ChemBase ID: 449932
• Molecular Formular: C22H34N4O
• Molecular Mass: 370.53156
• Monoisotopic Mass: 370.27326173
• SMILES: N1(C2CCN(CC2)C2CCCC2)CCC(C(=O)NCc2cnccc2)CC1
• Canonical SMILES: O=C(C1CCN(CC1)C1CCN(CC1)C1CCCC1)NCc1cccnc1
• InChI: InChI=1S/C22H34N4O/c27-22(24-17-18-4-3-11-23-16-18)19-7-12-25(13-8-19)21-9-14-26(15-10-21)20-5-1-2-6-20/h3-4,11,16,19-21H,1-2,5-10,12-15,17H2,(H,24,27)
• InChIKey: LGRKOCIJXCMZRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.451839
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -4.133776
• LogD (pH = 7.4): -1.647473
• Log P: 1.5683223
• Molar Refractivity: 109.4089 cm^3
• Polarizability: 42.8143 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: 0.52
• LOG S: -2.7
• Polar Surface Area: 48.47 Å^2
• Rotatable Bonds: 5