1-(2-hydroxyacetyl)-N-[4-(3-methoxyphenyl)phenyl]piperidine-3-carboxamide

• ChemBase ID: 703581
• Molecular Formular: C21H24N2O4
• Molecular Mass: 368.42626
• Monoisotopic Mass: 368.17360726
• SMILES: N1(C(=O)CO)CC(C(=O)Nc2ccc(c3cc(OC)ccc3)cc2)CCC1
• Canonical SMILES: OCC(=O)N1CCCC(C1)C(=O)Nc1ccc(cc1)c1cccc(c1)OC
• InChI: InChI=1S/C21H24N2O4/c1-27-19-6-2-4-16(12-19)15-7-9-18(10-8-15)22-21(26)17-5-3-11-23(13-17)20(25)14-24/h2,4,6-10,12,17,24H,3,5,11,13-14H2,1H3,(H,22,26)
• InChIKey: DWDWPHVJHKRUKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-hydroxyacetyl)-N-[4-(3-methoxyphenyl)phenyl]piperidine-3-carboxamide
• IUPAC Traditional name: 1-(2-hydroxyacetyl)-N-[4-(3-methoxyphenyl)phenyl]piperidine-3-carboxamide
• Synonyms: 1-glycoloyl-N-(3'-methoxybiphenyl-4-yl)piperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.452658
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.7526898
• LogD (pH = 7.4): 1.7526895
• Log P: 1.7526898
• Molar Refractivity: 104.0661 cm^3
• Polarizability: 40.81407 Å^3
• Polar Surface Area: 78.87 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.16
• LOG S: -3.73
• Polar Surface Area: 78.87 Å^2
• Rotatable Bonds: 5