2-(2-acetamidoethyl)-N-(2-phenylphenyl)piperidine-1-carboxamide

• ChemBase ID: 743625
• Molecular Formular: C22H27N3O2
• Molecular Mass: 365.46868
• Monoisotopic Mass: 365.21032712
• SMILES: C(=O)(N1C(CCNC(=O)C)CCCC1)Nc1c(c2ccccc2)cccc1
• Canonical SMILES: CC(=O)NCCC1CCCCN1C(=O)Nc1ccccc1c1ccccc1
• InChI: InChI=1S/C22H27N3O2/c1-17(26)23-15-14-19-11-7-8-16-25(19)22(27)24-21-13-6-5-12-20(21)18-9-3-2-4-10-18/h2-6,9-10,12-13,19H,7-8,11,14-16H2,1H3,(H,23,26)(H,24,27)
• InChIKey: RYRXOMCRTXXIDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-acetamidoethyl)-N-(2-phenylphenyl)piperidine-1-carboxamide
• IUPAC Traditional name: 2-(2-acetamidoethyl)-N-(2-phenylphenyl)piperidine-1-carboxamide
• Synonyms: 2-[2-(acetylamino)ethyl]-N-2-biphenylyl-1-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.762591
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.9639437
• LogD (pH = 7.4): 2.963942
• Log P: 2.963944
• Molar Refractivity: 108.5985 cm^3
• Polarizability: 42.52219 Å^3
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 2.65
• LOG S: -4.13
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 5