N-[(4-methylpyridin-2-yl)methyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

• ChemBase编号: 383511
• 分子式: C18H29N3O
• 平均质量: 303.44236
• 单一同位素质量: 303.23106256
• SMILES: N1C(CC(CC1(C)C)CC(=O)NCc1nccc(c1)C)(C)C
• Canonical SMILES: O=C(CC1CC(C)(C)NC(C1)(C)C)NCc1nccc(c1)C
• InChI: InChI=1S/C18H29N3O/c1-13-6-7-19-15(8-13)12-20-16(22)9-14-10-17(2,3)21-18(4,5)11-14/h6-8,14,21H,9-12H2,1-5H3,(H,20,22)
• InChIKey: FGUZHYQHRFIHIP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(4-methylpyridin-2-yl)methyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
• IUPAC传统名: N-[(4-methylpyridin-2-yl)methyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
• 别名: N-[(4-methylpyridin-2-yl)methyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

理论计算性质

JChem

• Acid pKa: 15.724461
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -1.3449306
• LogD (pH = 7.4): -0.8296008
• Log P: 1.9815645
• 摩尔折射率: 89.458 cm^3
• 极化性: 35.300636 Å^3
• 极化表面积: 54.02 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: 3
• 质子供体: 2
• Log P: 2.25
• LOG S: -2.04
• 极化表面积: 54.02 Å^2
• 可自由旋转的化学键: 4