7-cyclopentyl-2-(morpholine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase编号: 791162
• 分子式: C18H29N3O3
• 平均质量: 335.44116
• 单一同位素质量: 335.2208918
• SMILES: C12(C(=O)N(C3CCCC3)CCC2)CN(C(=O)N2CCOCC2)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2=O)C1CCCC1)N1CCOCC1
• InChI: InChI=1S/C18H29N3O3/c22-16-18(6-3-8-21(16)15-4-1-2-5-15)7-9-20(14-18)17(23)19-10-12-24-13-11-19/h15H,1-14H2
• InChIKey: WTZCFEZHHRMAOD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-cyclopentyl-2-(morpholine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC传统名: 7-cyclopentyl-2-(morpholine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• 别名: 7-cyclopentyl-2-(4-morpholinylcarbonyl)-2,7-diazaspiro[4.5]decan-6-one

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.61897874
• LogD (pH = 7.4): 0.6189808
• Log P: 0.6189809
• 摩尔折射率: 90.83 cm^3
• 极化性: 35.249283 Å^3
• 极化表面积: 53.09 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 1.21
• LOG S: -2.68
• 极化表面积: 53.09 Å^2
• 可自由旋转的化学键: 1