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

• ChemBase编号: 411487
• 分子式: C23H37N3O2
• 平均质量: 387.55878
• 单一同位素质量: 387.28857744
• SMILES: C(=O)(N(C(C1CC1)C1CC1)C)C1CN(C2CCN(C(=O)C3CC3)CC2)CCC1
• Canonical SMILES: CN(C(C1CC1)C1CC1)C(=O)C1CCCN(C1)C1CCN(CC1)C(=O)C1CC1
• InChI: InChI=1S/C23H37N3O2/c1-24(21(16-4-5-16)17-6-7-17)22(27)19-3-2-12-26(15-19)20-10-13-25(14-11-20)23(28)18-8-9-18/h16-21H,2-15H2,1H3
• InChIKey: NFNNRBHRMPJJCT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(1-cyclopropanecarbonylpiperidin-4-yl)-N-(dicyclopropylmethyl)-N-methylpiperidine-3-carboxamide
• IUPAC传统名: 1-(1-cyclopropanecarbonylpiperidin-4-yl)-N-(dicyclopropylmethyl)-N-methylpiperidine-3-carboxamide
• 别名: 1'-(cyclopropylcarbonyl)-N-(dicyclopropylmethyl)-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): -1.6680766
• LogD (pH = 7.4): -0.37378123
• Log P: 1.7140154
• 摩尔折射率: 110.5073 cm^3
• 极化性: 43.39023 Å^3
• 极化表面积: 43.86 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 1.01
• LOG S: -2.51
• 极化表面积: 43.86 Å^2
• 可自由旋转的化学键: 6