N-[(5-ethylpyridin-2-yl)methyl]-1-[(3-methoxyphenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide

• ChemBase ID: 322320
• Molecular Formular: C23H29N3O3
• Molecular Mass: 395.49466
• Monoisotopic Mass: 395.2208918
• SMILES: N1(C(=O)CCC(C(=O)N(Cc2ncc(cc2)CC)C)C1)Cc1cc(OC)ccc1
• Canonical SMILES: CCc1ccc(nc1)CN(C(=O)C1CCC(=O)N(C1)Cc1cccc(c1)OC)C
• InChI: InChI=1S/C23H29N3O3/c1-4-17-8-10-20(24-13-17)16-25(2)23(28)19-9-11-22(27)26(15-19)14-18-6-5-7-21(12-18)29-3/h5-8,10,12-13,19H,4,9,11,14-16H2,1-3H3
• InChIKey: PAPYFRKPUXYZEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-ethylpyridin-2-yl)methyl]-1-[(3-methoxyphenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
• IUPAC Traditional name: N-[(5-ethylpyridin-2-yl)methyl]-1-[(3-methoxyphenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
• Synonyms: N-[(5-ethyl-2-pyridinyl)methyl]-1-(3-methoxybenzyl)-N-methyl-6-oxo-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.1718948
• LogD (pH = 7.4): 2.220108
• Log P: 2.2207613
• Molar Refractivity: 112.1086 cm^3
• Polarizability: 43.403458 Å^3
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.07
• LOG S: -2.74
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 5