N-methyl-2-(3-methyl-3-phenylpiperidin-1-yl)-N-phenylacetamide

• ChemBase编号: 463414
• 分子式: C21H26N2O
• 平均质量: 322.44394
• 单一同位素质量: 322.20451346
• SMILES: C(=O)(N(c1ccccc1)C)CN1CC(c2ccccc2)(CCC1)C
• Canonical SMILES: CN(c1ccccc1)C(=O)CN1CCCC(C1)(C)c1ccccc1
• InChI: InChI=1S/C21H26N2O/c1-21(18-10-5-3-6-11-18)14-9-15-23(17-21)16-20(24)22(2)19-12-7-4-8-13-19/h3-8,10-13H,9,14-17H2,1-2H3
• InChIKey: ZLFGWDIVPSGOOL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-methyl-2-(3-methyl-3-phenylpiperidin-1-yl)-N-phenylacetamide
• IUPAC传统名: N-methyl-2-(3-methyl-3-phenylpiperidin-1-yl)-N-phenylacetamide
• 别名: N-methyl-2-(3-methyl-3-phenylpiperidin-1-yl)-N-phenylacetamide

理论计算性质

JChem

• Acid pKa: 17.576008
• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.5145516
• LogD (pH = 7.4): 3.2192218
• Log P: 3.6936646
• 摩尔折射率: 98.5726 cm^3
• 极化性: 38.452286 Å^3
• 极化表面积: 23.55 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 2
• 质子供体: 0
• Log P: 4.39
• LOG S: -4.76
• 极化表面积: 23.55 Å^2
• 可自由旋转的化学键: 4