ethyl 1-(4-{[1-(3-methoxypropanoyl)piperidin-4-yl]oxy}benzoyl)piperidine-4-carboxylate

• ChemBase ID: 574636
• Molecular Formular: C24H34N2O6
• Molecular Mass: 446.53656
• Monoisotopic Mass: 446.24168682
• SMILES: C(=O)(N1CCC(C(=O)OCC)CC1)c1ccc(OC2CCN(C(=O)CCOC)CC2)cc1
• Canonical SMILES: COCCC(=O)N1CCC(CC1)Oc1ccc(cc1)C(=O)N1CCC(CC1)C(=O)OCC
• InChI: InChI=1S/C24H34N2O6/c1-3-31-24(29)19-8-13-26(14-9-19)23(28)18-4-6-20(7-5-18)32-21-10-15-25(16-11-21)22(27)12-17-30-2/h4-7,19,21H,3,8-17H2,1-2H3
• InChIKey: ADNSQIWSRIUCCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 1-(4-{[1-(3-methoxypropanoyl)piperidin-4-yl]oxy}benzoyl)piperidine-4-carboxylate
• IUPAC Traditional name: ethyl 1-(4-{[1-(3-methoxypropanoyl)piperidin-4-yl]oxy}benzoyl)piperidine-4-carboxylate
• Synonyms: ethyl 1-(4-{[1-(3-methoxypropanoyl)-4-piperidinyl]oxy}benzoyl)-4-piperidinecarboxylate

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.0059711
• LogD (pH = 7.4): 1.0059713
• Log P: 1.0059713
• Molar Refractivity: 120.1677 cm^3
• Polarizability: 46.402348 Å^3
• Polar Surface Area: 85.38 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.59
• LOG S: -4.76
• Polar Surface Area: 85.38 Å^2
• Rotatable Bonds: 6