N,N-dimethyl-3-[1-({2-methylimidazo[1,2-a]pyridin-3-yl}methyl)piperidin-3-yl]propanamide

• ChemBase编号: 449464
• 分子式: C19H28N4O
• 平均质量: 328.45182
• 单一同位素质量: 328.22631154
• SMILES: c1(n2c(nc1C)cccc2)CN1CC(CCC(=O)N(C)C)CCC1
• Canonical SMILES: O=C(N(C)C)CCC1CCCN(C1)Cc1c(C)nc2n1cccc2
• InChI: InChI=1S/C19H28N4O/c1-15-17(23-12-5-4-8-18(23)20-15)14-22-11-6-7-16(13-22)9-10-19(24)21(2)3/h4-5,8,12,16H,6-7,9-11,13-14H2,1-3H3
• InChIKey: HULQMAVXJYDKGO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N-dimethyl-3-[1-({2-methylimidazo[1,2-a]pyridin-3-yl}methyl)piperidin-3-yl]propanamide
• IUPAC传统名: N,N-dimethyl-3-[1-({2-methylimidazo[1,2-a]pyridin-3-yl}methyl)piperidin-3-yl]propanamide
• 别名: N,N-dimethyl-3-{1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-piperidinyl}propanamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -1.9555112
• LogD (pH = 7.4): -0.061248608
• Log P: 1.1769615
• 摩尔折射率: 98.0447 cm^3
• 极化性: 37.312325 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: 3
• 质子供体: 0
• Log P: 1.51
• LOG S: -2.88
• 极化表面积: 40.85 Å^2
• 可自由旋转的化学键: 5