N-[2-(1-methylpiperidin-3-yl)ethyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

• ChemBase编号: 781073
• 分子式: C19H37N3O
• 平均质量: 323.51658
• 单一同位素质量: 323.29366282
• SMILES: N1C(CC(CC1(C)C)CC(=O)NCCC1CN(CCC1)C)(C)C
• Canonical SMILES: CN1CCCC(C1)CCNC(=O)CC1CC(C)(C)NC(C1)(C)C
• InChI: InChI=1S/C19H37N3O/c1-18(2)12-16(13-19(3,4)21-18)11-17(23)20-9-8-15-7-6-10-22(5)14-15/h15-16,21H,6-14H2,1-5H3,(H,20,23)
• InChIKey: SYGKHFSAHYERPE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[2-(1-methylpiperidin-3-yl)ethyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
• IUPAC传统名: N-[2-(1-methylpiperidin-3-yl)ethyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
• 别名: N-[2-(1-methylpiperidin-3-yl)ethyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

理论计算性质

JChem

• Acid pKa: 16.420286
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -4.779525
• LogD (pH = 7.4): -2.9992576
• Log P: 1.811846
• 摩尔折射率: 97.3534 cm^3
• 极化性: 38.538284 Å^3
• 极化表面积: 44.37 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: 2
• Log P: 2.72
• LOG S: -3.88
• 极化表面积: 44.37 Å^2
• 可自由旋转的化学键: 5