N,N-dimethyl-6-(3-methyl-3-phenylpiperidin-1-yl)pyridine-3-carboxamide

• ChemBase编号: 697550
• 分子式: C20H25N3O
• 平均质量: 323.432
• 单一同位素质量: 323.19976244
• SMILES: N1(c2ncc(C(=O)N(C)C)cc2)CC(c2ccccc2)(CCC1)C
• Canonical SMILES: CN(C(=O)c1ccc(nc1)N1CCCC(C1)(C)c1ccccc1)C
• InChI: InChI=1S/C20H25N3O/c1-20(17-8-5-4-6-9-17)12-7-13-23(15-20)18-11-10-16(14-21-18)19(24)22(2)3/h4-6,8-11,14H,7,12-13,15H2,1-3H3
• InChIKey: URCIPELCVKKVIE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N-dimethyl-6-(3-methyl-3-phenylpiperidin-1-yl)pyridine-3-carboxamide
• IUPAC传统名: N,N-dimethyl-6-(3-methyl-3-phenylpiperidin-1-yl)pyridine-3-carboxamide
• 别名: N,N-dimethyl-6-(3-methyl-3-phenylpiperidin-1-yl)nicotinamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 3.3968234
• LogD (pH = 7.4): 3.4820006
• Log P: 3.483211
• 摩尔折射率: 98.6217 cm^3
• 极化性: 36.925667 Å^3
• 极化表面积: 36.44 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 2
• 质子供体: 0
• Log P: 2.94
• LOG S: -4.81
• 极化表面积: 36.44 Å^2
• 可自由旋转的化学键: 3