2-methoxy-1-{4-[4-(morpholine-4-carbonyl)phenoxy]piperidin-1-yl}ethan-1-one

• ChemBase编号: 426941
• 分子式: C19H26N2O5
• 平均质量: 362.42014
• 单一同位素质量: 362.18417194
• SMILES: C(=O)(N1CCOCC1)c1ccc(OC2CCN(C(=O)COC)CC2)cc1
• Canonical SMILES: COCC(=O)N1CCC(CC1)Oc1ccc(cc1)C(=O)N1CCOCC1
• InChI: InChI=1S/C19H26N2O5/c1-24-14-18(22)20-8-6-17(7-9-20)26-16-4-2-15(3-5-16)19(23)21-10-12-25-13-11-21/h2-5,17H,6-14H2,1H3
• InChIKey: LMGJEQOPWAZRKN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-methoxy-1-{4-[4-(morpholine-4-carbonyl)phenoxy]piperidin-1-yl}ethan-1-one
• IUPAC传统名: 2-methoxy-1-{4-[4-(morpholine-4-carbonyl)phenoxy]piperidin-1-yl}ethanone
• 别名: 4-(4-{[1-(methoxyacetyl)piperidin-4-yl]oxy}benzoyl)morpholine

理论计算性质

JChem

• Acid pKa: 19.83546
• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): -0.02535466
• LogD (pH = 7.4): -0.025354555
• Log P: -0.025354553
• 摩尔折射率: 96.6432 cm^3
• 极化性: 37.12483 Å^3
• 极化表面积: 68.31 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: 5
• 质子供体: 0
• Log P: 0.04
• LOG S: -3.19
• 极化表面积: 68.31 Å^2
• 可自由旋转的化学键: 5