3-(naphthalene-2-carbonyl)-N-phenylpiperidine-1-carboxamide

• ChemBase ID: 362826
• Molecular Formular: C23H22N2O2
• Molecular Mass: 358.43298
• Monoisotopic Mass: 358.16812795
• SMILES: C(=O)(N1CC(C(=O)c2cc3c(cc2)cccc3)CCC1)Nc1ccccc1
• Canonical SMILES: O=C(c1ccc2c(c1)cccc2)C1CCCN(C1)C(=O)Nc1ccccc1
• InChI: InChI=1S/C23H22N2O2/c26-22(19-13-12-17-7-4-5-8-18(17)15-19)20-9-6-14-25(16-20)23(27)24-21-10-2-1-3-11-21/h1-5,7-8,10-13,15,20H,6,9,14,16H2,(H,24,27)
• InChIKey: VQOVWCBHSYNHFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(naphthalene-2-carbonyl)-N-phenylpiperidine-1-carboxamide
• IUPAC Traditional name: 3-(naphthalene-2-carbonyl)-N-phenylpiperidine-1-carboxamide
• Synonyms: 3-(2-naphthoyl)-N-phenyl-1-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.419887
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.297497
• LogD (pH = 7.4): 4.2974963
• Log P: 4.297497
• Molar Refractivity: 107.8863 cm^3
• Polarizability: 42.015728 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 4.17
• LOG S: -5.93
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 3