N-[2-(dimethylamino)ethyl]-N-({1-[(2-methoxyphenyl)methyl]piperidin-3-yl}methyl)-2-oxo-2-phenylacetamide

• ChemBase ID: 472624
• Molecular Formular: C26H35N3O3
• Molecular Mass: 437.5744
• Monoisotopic Mass: 437.267842
• SMILES: C(=O)(C(=O)c1ccccc1)N(CC1CN(Cc2c(OC)cccc2)CCC1)CCN(C)C
• Canonical SMILES: COc1ccccc1CN1CCCC(C1)CN(C(=O)C(=O)c1ccccc1)CCN(C)C
• InChI: InChI=1S/C26H35N3O3/c1-27(2)16-17-29(26(31)25(30)22-11-5-4-6-12-22)19-21-10-9-15-28(18-21)20-23-13-7-8-14-24(23)32-3/h4-8,11-14,21H,9-10,15-20H2,1-3H3
• InChIKey: UGPLNUPTUWSFIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(dimethylamino)ethyl]-N-({1-[(2-methoxyphenyl)methyl]piperidin-3-yl}methyl)-2-oxo-2-phenylacetamide
• IUPAC Traditional name: N-[2-(dimethylamino)ethyl]-N-({1-[(2-methoxyphenyl)methyl]piperidin-3-yl}methyl)-2-oxo-2-phenylacetamide
• Synonyms: N-[2-(dimethylamino)ethyl]-N-{[1-(2-methoxybenzyl)-3-piperidinyl]methyl}-2-oxo-2-phenylacetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.2202221
• LogD (pH = 7.4): 2.2192116
• Log P: 3.245307
• Molar Refractivity: 129.1365 cm^3
• Polarizability: 49.964256 Å^3
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.88
• LOG S: -1.49
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 8