4-[2-(cyclohexylmethyl)morpholine-4-carbonyl]-N,N-dimethylpiperidine-1-carboxamide

• ChemBase编号: 631286
• 分子式: C20H35N3O3
• 平均质量: 365.5102
• 单一同位素质量: 365.267842
• SMILES: C(=O)(N1CCC(C(=O)N2CC(OCC2)CC2CCCCC2)CC1)N(C)C
• Canonical SMILES: O=C(N1CCOC(C1)CC1CCCCC1)C1CCN(CC1)C(=O)N(C)C
• InChI: InChI=1S/C20H35N3O3/c1-21(2)20(25)22-10-8-17(9-11-22)19(24)23-12-13-26-18(15-23)14-16-6-4-3-5-7-16/h16-18H,3-15H2,1-2H3
• InChIKey: IRIAHSCTFFFEEP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-[2-(cyclohexylmethyl)morpholine-4-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
• IUPAC传统名: 4-[2-(cyclohexylmethyl)morpholine-4-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
• 别名: 4-{[2-(cyclohexylmethyl)-4-morpholinyl]carbonyl}-N,N-dimethyl-1-piperidinecarboxamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.5665545
• LogD (pH = 7.4): 1.5665554
• Log P: 1.5665554
• 摩尔折射率: 101.8946 cm^3
• 极化性: 39.64061 Å^3
• 极化表面积: 53.09 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 2.28
• LOG S: -3.22
• 极化表面积: 53.09 Å^2
• 可自由旋转的化学键: 3