1-(1-cyclopropanecarbonylpiperidin-4-yl)-N-cyclopropyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide

• ChemBase编号: 635699
• 分子式: C24H34N4O2
• 平均质量: 410.55236
• 单一同位素质量: 410.26817635
• SMILES: C(=O)(N(C1CC1)Cc1cnccc1)C1CN(C2CCN(C(=O)C3CC3)CC2)CCC1
• Canonical SMILES: O=C(N(C1CC1)Cc1cccnc1)C1CCCN(C1)C1CCN(CC1)C(=O)C1CC1
• InChI: InChI=1S/C24H34N4O2/c29-23(19-5-6-19)26-13-9-21(10-14-26)27-12-2-4-20(17-27)24(30)28(22-7-8-22)16-18-3-1-11-25-15-18/h1,3,11,15,19-22H,2,4-10,12-14,16-17H2
• InChIKey: TYVMVFMTMDKNTD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(1-cyclopropanecarbonylpiperidin-4-yl)-N-cyclopropyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
• IUPAC传统名: 1-(1-cyclopropanecarbonylpiperidin-4-yl)-N-cyclopropyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
• 别名: N-cyclopropyl-1'-(cyclopropylcarbonyl)-N-(pyridin-3-ylmethyl)-1,4'-bipiperidine-3-carboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -2.3628623
• LogD (pH = 7.4): -0.9519891
• Log P: 1.065459
• 摩尔折射率: 116.62 cm^3
• 极化性: 45.445217 Å^3
• 极化表面积: 56.75 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: 4
• 质子供体: 0
• Log P: 0.91
• LOG S: -1.67
• 极化表面积: 56.75 Å^2
• 可自由旋转的化学键: 6