1-(1-cyclopropanecarbonylpiperidin-4-yl)-N,N-diethylpiperidine-3-carboxamide

• ChemBase编号: 379591
• 分子式: C19H33N3O2
• 平均质量: 335.48422
• 单一同位素质量: 335.25727731
• SMILES: C1(C(=O)N(CC)CC)CN(C2CCN(C(=O)C3CC3)CC2)CCC1
• Canonical SMILES: CCN(C(=O)C1CCCN(C1)C1CCN(CC1)C(=O)C1CC1)CC
• InChI: InChI=1S/C19H33N3O2/c1-3-20(4-2)19(24)16-6-5-11-22(14-16)17-9-12-21(13-10-17)18(23)15-7-8-15/h15-17H,3-14H2,1-2H3
• InChIKey: ICBVTFZXSFIFKW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(1-cyclopropanecarbonylpiperidin-4-yl)-N,N-diethylpiperidine-3-carboxamide
• IUPAC传统名: 1-(1-cyclopropanecarbonylpiperidin-4-yl)-N,N-diethylpiperidine-3-carboxamide
• 别名: 1'-(cyclopropylcarbonyl)-N,N-diethyl-1,4'-bipiperidine-3-carboxamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -2.5753794
• LogD (pH = 7.4): -1.2810872
• Log P: 0.8067097
• 摩尔折射率: 96.4503 cm^3
• 极化性: 37.481728 Å^3
• 极化表面积: 43.86 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: 0.34
• LOG S: -1.06
• 极化表面积: 43.86 Å^2
• 可自由旋转的化学键: 3