N-cyclohexyl-1-(1-cyclopropanecarbonylpiperidin-4-yl)-N-methylpiperidine-3-carboxamide

• ChemBase编号: 510556
• 分子式: C22H37N3O2
• 平均质量: 375.54808
• 单一同位素质量: 375.28857744
• SMILES: C(=O)(C1CN(C2CCN(C(=O)C3CC3)CC2)CCC1)N(C1CCCCC1)C
• Canonical SMILES: O=C(N(C1CCCCC1)C)C1CCCN(C1)C1CCN(CC1)C(=O)C1CC1
• InChI: InChI=1S/C22H37N3O2/c1-23(19-7-3-2-4-8-19)21(26)18-6-5-13-25(16-18)20-11-14-24(15-12-20)22(27)17-9-10-17/h17-20H,2-16H2,1H3
• InChIKey: GSIVNAHWQJQXPA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclohexyl-1-(1-cyclopropanecarbonylpiperidin-4-yl)-N-methylpiperidine-3-carboxamide
• IUPAC传统名: N-cyclohexyl-1-(1-cyclopropanecarbonylpiperidin-4-yl)-N-methylpiperidine-3-carboxamide
• 别名: N-cyclohexyl-1'-(cyclopropylcarbonyl)-N-methyl-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): -1.4897254
• LogD (pH = 7.4): -0.19543238
• Log P: 1.8923643
• 摩尔折射率: 107.9673 cm^3
• 极化性: 42.276676 Å^3
• 极化表面积: 43.86 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: 0
• Log P: 1.32
• LOG S: -2.21
• 极化表面积: 43.86 Å^2
• 可自由旋转的化学键: 4