N-(2,4-dimethoxyphenyl)-3-(4-methoxy-2-methylbenzoyl)piperidine-1-carboxamide

• ChemBase ID: 448426
• Molecular Formular: C23H28N2O5
• Molecular Mass: 412.47882
• Monoisotopic Mass: 412.19982201
• SMILES: C(=O)(N1CC(C(=O)c2c(cc(cc2)OC)C)CCC1)Nc1c(cc(cc1)OC)OC
• Canonical SMILES: COc1ccc(c(c1)OC)NC(=O)N1CCCC(C1)C(=O)c1ccc(cc1C)OC
• InChI: InChI=1S/C23H28N2O5/c1-15-12-17(28-2)7-9-19(15)22(26)16-6-5-11-25(14-16)23(27)24-20-10-8-18(29-3)13-21(20)30-4/h7-10,12-13,16H,5-6,11,14H2,1-4H3,(H,24,27)
• InChIKey: SXRGYLRDEOTTHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.195893
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 3.3484275
• LogD (pH = 7.4): 3.3484209
• Log P: 3.3484275
• Molar Refractivity: 115.8669 cm^3
• Polarizability: 43.80111 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: 3.85
• LOG S: -4.63
• Polar Surface Area: 77.1 Å^2
• Rotatable Bonds: 3