1-[2-(4-methoxyphenyl)ethyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide

• ChemBase ID: 468737
• Molecular Formular: C24H30N2O4
• Molecular Mass: 410.506
• Monoisotopic Mass: 410.22055745
• SMILES: N1(C(=O)CCC(C(=O)N(Cc2c(OC)cccc2)C)C1)CCc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CCN1CC(CCC1=O)C(=O)N(Cc1ccccc1OC)C
• InChI: InChI=1S/C24H30N2O4/c1-25(16-19-6-4-5-7-22(19)30-3)24(28)20-10-13-23(27)26(17-20)15-14-18-8-11-21(29-2)12-9-18/h4-9,11-12,20H,10,13-17H2,1-3H3
• InChIKey: RIMQGUFOAGKYFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(4-methoxyphenyl)ethyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
• IUPAC Traditional name: 1-[2-(4-methoxyphenyl)ethyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
• Synonyms: N-(2-methoxybenzyl)-1-[2-(4-methoxyphenyl)ethyl]-N-methyl-6-oxo-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.5299616
• LogD (pH = 7.4): 2.5299618
• Log P: 2.5299618
• Molar Refractivity: 116.3637 cm^3
• Polarizability: 45.0573 Å^3
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.08
• LOG S: -3.15
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 6