N-benzyl-3-(naphthalene-2-carbonyl)piperidine-1-carboxamide

• ChemBase ID: 727530
• Molecular Formular: C24H24N2O2
• Molecular Mass: 372.45956
• Monoisotopic Mass: 372.18377802
• SMILES: N1(C(=O)NCc2ccccc2)CC(C(=O)c2cc3c(cc2)cccc3)CCC1
• Canonical SMILES: O=C(N1CCCC(C1)C(=O)c1ccc2c(c1)cccc2)NCc1ccccc1
• InChI: InChI=1S/C24H24N2O2/c27-23(21-13-12-19-9-4-5-10-20(19)15-21)22-11-6-14-26(17-22)24(28)25-16-18-7-2-1-3-8-18/h1-5,7-10,12-13,15,22H,6,11,14,16-17H2,(H,25,28)
• InChIKey: KLHABNBAGAYEKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.092686
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.004401
• LogD (pH = 7.4): 4.004401
• Log P: 4.004401
• Molar Refractivity: 110.9405 cm^3
• Polarizability: 43.87197 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 4.75
• LOG S: -6.18
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 4