N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

• ChemBase编号: 616706
• 分子式: C23H43N3O
• 平均质量: 377.60702
• 单一同位素质量: 377.34061301
• SMILES: N1C(CC(CC(=O)NC2CN(CC3CCCCC3)CCC2)CC1(C)C)(C)C
• Canonical SMILES: O=C(CC1CC(C)(C)NC(C1)(C)C)NC1CCCN(C1)CC1CCCCC1
• InChI: InChI=1S/C23H43N3O/c1-22(2)14-19(15-23(3,4)25-22)13-21(27)24-20-11-8-12-26(17-20)16-18-9-6-5-7-10-18/h18-20,25H,5-17H2,1-4H3,(H,24,27)
• InChIKey: QRSIBIYEYDCZEF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
• IUPAC传统名: N-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
• 别名: N-[1-(cyclohexylmethyl)-3-piperidinyl]-2-(2,2,6,6-tetramethyl-4-piperidinyl)acetamide

理论计算性质

JChem

• Acid pKa: 16.223753
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -3.087366
• LogD (pH = 7.4): -1.2507695
• Log P: 3.4783628
• 摩尔折射率: 113.4586 cm^3
• 极化性: 45.18247 Å^3
• 极化表面积: 44.37 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: 2
• Log P: 4.93
• LOG S: -4.17
• 极化表面积: 44.37 Å^2
• 可自由旋转的化学键: 5