N-(4-methoxyphenyl)-3-(naphthalene-2-carbonyl)piperidine-1-carboxamide

• ChemBase ID: 773216
• Molecular Formular: C24H24N2O3
• Molecular Mass: 388.45896
• Monoisotopic Mass: 388.17869264
• SMILES: C(=O)(N1CC(C(=O)c2cc3c(cc2)cccc3)CCC1)Nc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)NC(=O)N1CCCC(C1)C(=O)c1ccc2c(c1)cccc2
• InChI: InChI=1S/C24H24N2O3/c1-29-22-12-10-21(11-13-22)25-24(28)26-14-4-7-20(16-26)23(27)19-9-8-17-5-2-3-6-18(17)15-19/h2-3,5-6,8-13,15,20H,4,7,14,16H2,1H3,(H,25,28)
• InChIKey: LLCTWYAKPWZXLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-methoxyphenyl)-3-(naphthalene-2-carbonyl)piperidine-1-carboxamide
• IUPAC Traditional name: N-(4-methoxyphenyl)-3-(naphthalene-2-carbonyl)piperidine-1-carboxamide
• Synonyms: N-(4-methoxyphenyl)-3-(2-naphthoyl)-1-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Lipinski's Rule of Five: true
• Acid pKa: 14.038686
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.1398253
• LogD (pH = 7.4): 4.1398253
• Log P: 4.1398253
• Molar Refractivity: 114.3495 cm^3
• Polarizability: 44.507324 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 4

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.27
• LOG S: -5.8
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 3