N-butyl-4-[3-(cyclopropylcarbamoyl)piperidin-1-yl]piperidine-1-carboxamide

• ChemBase ID: 678880
• Molecular Formular: C19H34N4O2
• Molecular Mass: 350.49886
• Monoisotopic Mass: 350.26817635
• SMILES: C(=O)(C1CN(C2CCN(C(=O)NCCCC)CC2)CCC1)NC1CC1
• Canonical SMILES: CCCCNC(=O)N1CCC(CC1)N1CCCC(C1)C(=O)NC1CC1
• InChI: InChI=1S/C19H34N4O2/c1-2-3-10-20-19(25)22-12-8-17(9-13-22)23-11-4-5-15(14-23)18(24)21-16-6-7-16/h15-17H,2-14H2,1H3,(H,20,25)(H,21,24)
• InChIKey: SZKMLZLDKRWTHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-butyl-4-[3-(cyclopropylcarbamoyl)piperidin-1-yl]piperidine-1-carboxamide
• IUPAC Traditional name: N-butyl-4-[3-(cyclopropylcarbamoyl)piperidin-1-yl]piperidine-1-carboxamide
• Synonyms: N~1~'-butyl-N~3~-cyclopropyl-1,4'-bipiperidine-1',3-dicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.278112
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.594758
• LogD (pH = 7.4): -1.2507944
• Log P: 0.7692156
• Molar Refractivity: 99.3154 cm^3
• Polarizability: 38.623028 Å^3
• Polar Surface Area: 64.68 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.18
• LOG S: -3.48
• Polar Surface Area: 64.68 Å^2
• Rotatable Bonds: 4