N-(3-cyclopentylpropyl)-1-{1-[(6-methylpyridin-2-yl)methyl]piperidin-4-yl}piperidine-4-carboxamide

• ChemBase ID: 840404
• Molecular Formular: C26H42N4O
• Molecular Mass: 426.63788
• Monoisotopic Mass: 426.33586198
• SMILES: N1(C2CCN(Cc3nc(ccc3)C)CC2)CCC(C(=O)NCCCC2CCCC2)CC1
• Canonical SMILES: O=C(C1CCN(CC1)C1CCN(CC1)Cc1cccc(n1)C)NCCCC1CCCC1
• InChI: InChI=1S/C26H42N4O/c1-21-6-4-10-24(28-21)20-29-16-13-25(14-17-29)30-18-11-23(12-19-30)26(31)27-15-5-9-22-7-2-3-8-22/h4,6,10,22-23,25H,2-3,5,7-9,11-20H2,1H3,(H,27,31)
• InChIKey: DZYWEFWNEUMMFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-cyclopentylpropyl)-1-{1-[(6-methylpyridin-2-yl)methyl]piperidin-4-yl}piperidine-4-carboxamide
• IUPAC Traditional name: N-(3-cyclopentylpropyl)-1-{1-[(6-methylpyridin-2-yl)methyl]piperidin-4-yl}piperidine-4-carboxamide
• Synonyms: N-(3-cyclopentylpropyl)-1'-[(6-methyl-2-pyridinyl)methyl]-1,4'-bipiperidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.140558
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.1082699
• LogD (pH = 7.4): 0.50426185
• Log P: 2.9073606
• Molar Refractivity: 127.488 cm^3
• Polarizability: 50.11424 Å^3
• Polar Surface Area: 48.47 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.89
• LOG S: -4.37
• Polar Surface Area: 48.47 Å^2
• Rotatable Bonds: 8