N-({1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl}methyl)-N-methylcyclobutanecarboxamide

• ChemBase ID: 401208
• Molecular Formular: C20H29ClN2O
• Molecular Mass: 348.91006
• Monoisotopic Mass: 348.19684124
• SMILES: C(=O)(N(CC1CN(CCc2ccc(Cl)cc2)CCC1)C)C1CCC1
• Canonical SMILES: Clc1ccc(cc1)CCN1CCCC(C1)CN(C(=O)C1CCC1)C
• InChI: InChI=1S/C20H29ClN2O/c1-22(20(24)18-5-2-6-18)14-17-4-3-12-23(15-17)13-11-16-7-9-19(21)10-8-16/h7-10,17-18H,2-6,11-15H2,1H3
• InChIKey: ZKYVLKRLQINMJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl}methyl)-N-methylcyclobutanecarboxamide
• IUPAC Traditional name: N-({1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl}methyl)-N-methylcyclobutanecarboxamide
• Synonyms: N-({1-[2-(4-chlorophenyl)ethyl]-3-piperidinyl}methyl)-N-methylcyclobutanecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.537492
• LogD (pH = 7.4): 2.0790288
• Log P: 3.7875712
• Molar Refractivity: 100.6022 cm^3
• Polarizability: 39.167885 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: 3.43
• LOG S: -3.72
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 6