N-({1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl}methyl)-N-methyl-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

• ChemBase ID: 847995
• Molecular Formular: C20H27ClN4O2
• Molecular Mass: 390.90698
• Monoisotopic Mass: 390.1822538
• SMILES: c1(CC(=O)N(CC2CN(CCc3ccc(Cl)cc3)CCC2)C)nonc1C
• Canonical SMILES: Clc1ccc(cc1)CCN1CCCC(C1)CN(C(=O)Cc1nonc1C)C
• InChI: InChI=1S/C20H27ClN4O2/c1-15-19(23-27-22-15)12-20(26)24(2)13-17-4-3-10-25(14-17)11-9-16-5-7-18(21)8-6-16/h5-8,17H,3-4,9-14H2,1-2H3
• InChIKey: NLZMZYODLBSGJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl}methyl)-N-methyl-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
• IUPAC Traditional name: N-({1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl}methyl)-N-methyl-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
• Synonyms: N-({1-[2-(4-chlorophenyl)ethyl]-3-piperidinyl}methyl)-N-methyl-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.74646693
• LogD (pH = 7.4): 0.7950696
• Log P: 2.503612
• Molar Refractivity: 107.914 cm^3
• Polarizability: 40.8662 Å^3
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.52
• LOG S: -3.03
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 7