8-[4-methoxy-3-(morpholin-4-yl)benzoyl]-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 602756
• Molecular Formular: C20H27N3O4
• Molecular Mass: 373.44608
• Monoisotopic Mass: 373.20015636
• SMILES: C(=O)(N1CCC2(CC(=O)NC2)CC1)c1cc(N2CCOCC2)c(cc1)OC
• Canonical SMILES: COc1ccc(cc1N1CCOCC1)C(=O)N1CCC2(CC1)CNC(=O)C2
• InChI: InChI=1S/C20H27N3O4/c1-26-17-3-2-15(12-16(17)22-8-10-27-11-9-22)19(25)23-6-4-20(5-7-23)13-18(24)21-14-20/h2-3,12H,4-11,13-14H2,1H3,(H,21,24)
• InChIKey: UJFHYVUODBANSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[4-methoxy-3-(morpholin-4-yl)benzoyl]-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 8-[4-methoxy-3-(morpholin-4-yl)benzoyl]-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 8-[4-methoxy-3-(4-morpholinyl)benzoyl]-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.080177
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.21940857
• LogD (pH = 7.4): 0.21940891
• Log P: 0.21940899
• Molar Refractivity: 102.5605 cm^3
• Polarizability: 38.67314 Å^3
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.78
• LOG S: -2.57
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 3