N-({1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl}methyl)-2-cyclopentyl-N-methylacetamide

• ChemBase ID: 569521
• Molecular Formular: C22H33ClN2O
• Molecular Mass: 376.96322
• Monoisotopic Mass: 376.22814137
• SMILES: C(=O)(N(CC1CCN(CCc2ccc(Cl)cc2)CC1)C)CC1CCCC1
• Canonical SMILES: Clc1ccc(cc1)CCN1CCC(CC1)CN(C(=O)CC1CCCC1)C
• InChI: InChI=1S/C22H33ClN2O/c1-24(22(26)16-19-4-2-3-5-19)17-20-11-14-25(15-12-20)13-10-18-6-8-21(23)9-7-18/h6-9,19-20H,2-5,10-17H2,1H3
• InChIKey: ZQAXESRNHYEVIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl}methyl)-2-cyclopentyl-N-methylacetamide
• IUPAC Traditional name: N-({1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl}methyl)-2-cyclopentyl-N-methylacetamide
• Synonyms: N-({1-[2-(4-chlorophenyl)ethyl]-4-piperidinyl}methyl)-2-cyclopentyl-N-methylacetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1612908
• LogD (pH = 7.4): 2.738245
• Log P: 4.3791847
• Molar Refractivity: 109.8771 cm^3
• Polarizability: 42.85343 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.61
• LOG S: -4.7
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 7