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

• ChemBase ID: 328612
• Molecular Formular: C21H26N2O2
• Molecular Mass: 338.44334
• Monoisotopic Mass: 338.19942808
• SMILES: C(=O)(C1CN(CCC1)CC)Nc1ccc(c2cc(OC)ccc2)cc1
• Canonical SMILES: CCN1CCCC(C1)C(=O)Nc1ccc(cc1)c1cccc(c1)OC
• InChI: InChI=1S/C21H26N2O2/c1-3-23-13-5-7-18(15-23)21(24)22-19-11-9-16(10-12-19)17-6-4-8-20(14-17)25-2/h4,6,8-12,14,18H,3,5,7,13,15H2,1-2H3,(H,22,24)
• InChIKey: CACIEFVDIKKESN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-N-[4-(3-methoxyphenyl)phenyl]piperidine-3-carboxamide
• IUPAC Traditional name: 1-ethyl-N-[4-(3-methoxyphenyl)phenyl]piperidine-3-carboxamide
• Synonyms: 1-ethyl-N-(3'-methoxy-4-biphenylyl)-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.922831
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.37294033
• LogD (pH = 7.4): 1.7983552
• Log P: 3.6998515
• Molar Refractivity: 102.8413 cm^3
• Polarizability: 40.567696 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.44
• LOG S: -3.78
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 3