N-(2,4-dimethoxyphenyl)-3-(6-methoxynaphthalene-2-carbonyl)piperidine-1-carboxamide

• ChemBase ID: 538491
• Molecular Formular: C26H28N2O5
• Molecular Mass: 448.51092
• Monoisotopic Mass: 448.19982201
• SMILES: C(=O)(N1CC(C(=O)c2cc3c(cc(cc3)OC)cc2)CCC1)Nc1c(cc(cc1)OC)OC
• Canonical SMILES: COc1ccc(c(c1)OC)NC(=O)N1CCCC(C1)C(=O)c1ccc2c(c1)ccc(c2)OC
• InChI: InChI=1S/C26H28N2O5/c1-31-21-9-8-17-13-19(7-6-18(17)14-21)25(29)20-5-4-12-28(16-20)26(30)27-23-11-10-22(32-2)15-24(23)33-3/h6-11,13-15,20H,4-5,12,16H2,1-3H3,(H,27,30)
• InChIKey: MFJABMVZRMOLPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,4-dimethoxyphenyl)-3-(6-methoxynaphthalene-2-carbonyl)piperidine-1-carboxamide
• IUPAC Traditional name: N-(2,4-dimethoxyphenyl)-3-(6-methoxynaphthalene-2-carbonyl)piperidine-1-carboxamide
• Synonyms: N-(2,4-dimethoxyphenyl)-3-(6-methoxy-2-naphthoyl)-1-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.195874
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 3.824483
• LogD (pH = 7.4): 3.8244762
• Log P: 3.824483
• Molar Refractivity: 127.2759 cm^3
• Polarizability: 49.522705 Å^3
• Polar Surface Area: 77.1 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 4.45
• LOG S: -5.5
• Polar Surface Area: 77.1 Å^2
• Rotatable Bonds: 3