N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]cyclopentanecarboxamide

• ChemBase ID: 684545
• Molecular Formular: C21H32N2O
• Molecular Mass: 328.49158
• Monoisotopic Mass: 328.25146365
• SMILES: C(=O)(N(C1CN(CCCc2ccccc2)CCC1)C)C1CCCC1
• Canonical SMILES: O=C(N(C1CCCN(C1)CCCc1ccccc1)C)C1CCCC1
• InChI: InChI=1S/C21H32N2O/c1-22(21(24)19-12-5-6-13-19)20-14-8-16-23(17-20)15-7-11-18-9-3-2-4-10-18/h2-4,9-10,19-20H,5-8,11-17H2,1H3
• InChIKey: KQSYXSBSVLWTNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]cyclopentanecarboxamide
• IUPAC Traditional name: N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]cyclopentanecarboxamide
• Synonyms: N-methyl-N-[1-(3-phenylpropyl)-3-piperidinyl]cyclopentanecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.9389817
• LogD (pH = 7.4): 2.6134253
• Log P: 4.0279093
• Molar Refractivity: 100.0594 cm^3
• Polarizability: 39.17726 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.31
• LOG S: -3.31
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 6