3-(3-chlorobenzoyl)-1-cyclopentylpiperidine

• ChemBase ID: 863585
• Molecular Formular: C17H22ClNO
• Molecular Mass: 291.81568
• Monoisotopic Mass: 291.13899201
• SMILES: N1(CC(C(=O)c2cc(Cl)ccc2)CCC1)C1CCCC1
• Canonical SMILES: Clc1cccc(c1)C(=O)C1CCCN(C1)C1CCCC1
• InChI: InChI=1S/C17H22ClNO/c18-15-7-3-5-13(11-15)17(20)14-6-4-10-19(12-14)16-8-1-2-9-16/h3,5,7,11,14,16H,1-2,4,6,8-10,12H2
• InChIKey: RJZUIWNAWGHYLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-chlorobenzoyl)-1-cyclopentylpiperidine
• IUPAC Traditional name: 3-(3-chlorobenzoyl)-1-cyclopentylpiperidine
• Synonyms: (3-chlorophenyl)(1-cyclopentyl-3-piperidinyl)methanone

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.345425
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.9159635
• LogD (pH = 7.4): 2.4946122
• Log P: 4.132173
• Molar Refractivity: 83.2511 cm^3
• Polarizability: 32.568436 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.43
• LOG S: -3.55
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 3