N,5-dimethyl-N-[1-(2-phenylethyl)piperidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase编号: 452043
• 分子式: C23H28N4O
• 平均质量: 376.49462
• 单一同位素质量: 376.22631154
• SMILES: c1(nc2n(c1)c(ccc2)C)C(=O)N(C1CN(CCc2ccccc2)CCC1)C
• Canonical SMILES: CN(C(=O)c1cn2c(n1)cccc2C)C1CCCN(C1)CCc1ccccc1
• InChI: InChI=1S/C23H28N4O/c1-18-8-6-12-22-24-21(17-27(18)22)23(28)25(2)20-11-7-14-26(16-20)15-13-19-9-4-3-5-10-19/h3-6,8-10,12,17,20H,7,11,13-16H2,1-2H3
• InChIKey: LMZWMZRCNDRLSC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,5-dimethyl-N-[1-(2-phenylethyl)piperidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC传统名: N,5-dimethyl-N-[1-(2-phenylethyl)piperidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
• 别名: N,5-dimethyl-N-[1-(2-phenylethyl)-3-piperidinyl]imidazo[1,2-a]pyridine-2-carboxamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.3151211
• LogD (pH = 7.4): 2.0786912
• Log P: 3.140297
• 摩尔折射率: 114.1838 cm^3
• 极化性: 42.94672 Å^3
• 极化表面积: 40.85 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 3.69
• LOG S: -4.42
• 极化表面积: 40.85 Å^2
• 可自由旋转的化学键: 5