N-[4-(3-methoxyphenyl)phenyl]-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidine-3-carboxamide

• ChemBase ID: 720276
• Molecular Formular: C24H27N3O5
• Molecular Mass: 437.48828
• Monoisotopic Mass: 437.19507098
• SMILES: C1(=O)N(CC(=O)N2CC(C(=O)Nc3ccc(c4cc(OC)ccc4)cc3)CCC2)CCO1
• Canonical SMILES: COc1cccc(c1)c1ccc(cc1)NC(=O)C1CCCN(C1)C(=O)CN1CCOC1=O
• InChI: InChI=1S/C24H27N3O5/c1-31-21-6-2-4-18(14-21)17-7-9-20(10-8-17)25-23(29)19-5-3-11-26(15-19)22(28)16-27-12-13-32-24(27)30/h2,4,6-10,14,19H,3,5,11-13,15-16H2,1H3,(H,25,29)
• InChIKey: GIJVVKBQKJIHCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(3-methoxyphenyl)phenyl]-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidine-3-carboxamide
• IUPAC Traditional name: N-[4-(3-methoxyphenyl)phenyl]-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidine-3-carboxamide
• Synonyms: N-(3'-methoxy-4-biphenylyl)-1-[(2-oxo-1,3-oxazolidin-3-yl)acetyl]-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.922105
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.136097
• LogD (pH = 7.4): 2.1360967
• Log P: 2.136097
• Molar Refractivity: 119.7187 cm^3
• Polarizability: 46.89746 Å^3
• Polar Surface Area: 88.18 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.34
• LOG S: -4.36
• Polar Surface Area: 88.18 Å^2
• Rotatable Bonds: 5