N-(1-cycloheptylpiperidin-3-yl)-2-(2-oxopiperidin-1-yl)acetamide

• ChemBase编号: 414435
• 分子式: C19H33N3O2
• 平均质量: 335.48422
• 单一同位素质量: 335.25727731
• SMILES: N1(C(=O)CCCC1)CC(=O)NC1CN(C2CCCCCC2)CCC1
• Canonical SMILES: O=C(CN1CCCCC1=O)NC1CCCN(C1)C1CCCCCC1
• InChI: InChI=1S/C19H33N3O2/c23-18(15-22-12-6-5-11-19(22)24)20-16-8-7-13-21(14-16)17-9-3-1-2-4-10-17/h16-17H,1-15H2,(H,20,23)
• InChIKey: SVCHXYKBIQAFHK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(1-cycloheptylpiperidin-3-yl)-2-(2-oxopiperidin-1-yl)acetamide
• IUPAC传统名: N-(1-cycloheptylpiperidin-3-yl)-2-(2-oxopiperidin-1-yl)acetamide
• 别名: N-(1-cycloheptyl-3-piperidinyl)-2-(2-oxo-1-piperidinyl)acetamide

理论计算性质

JChem

• Acid pKa: 15.674753
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -1.6760511
• LogD (pH = 7.4): -0.39810643
• Log P: 1.7114004
• 摩尔折射率: 95.4046 cm^3
• 极化性: 37.481728 Å^3
• 极化表面积: 52.65 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: 1
• Log P: 3.2
• LOG S: -2.12
• 极化表面积: 52.65 Å^2
• 可自由旋转的化学键: 4