7-methyl-2-[2-(morpholin-4-yl)benzoyl]-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 708258
• Molecular Formular: C20H27N3O3
• Molecular Mass: 357.44668
• Monoisotopic Mass: 357.20524174
• SMILES: C12(C(=O)N(CCC2)C)CN(C(=O)c2c(N3CCOCC3)cccc2)CC1
• Canonical SMILES: CN1CCCC2(C1=O)CCN(C2)C(=O)c1ccccc1N1CCOCC1
• InChI: InChI=1S/C20H27N3O3/c1-21-9-4-7-20(19(21)25)8-10-23(15-20)18(24)16-5-2-3-6-17(16)22-11-13-26-14-12-22/h2-3,5-6H,4,7-15H2,1H3
• InChIKey: RIJMVDRGJADPQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-2-[2-(morpholin-4-yl)benzoyl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-methyl-2-[2-(morpholin-4-yl)benzoyl]-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-methyl-2-(2-morpholin-4-ylbenzoyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.1126902
• LogD (pH = 7.4): 1.1126907
• Log P: 1.1126907
• Molar Refractivity: 101.0458 cm^3
• Polarizability: 37.972237 Å^3
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: -0.55
• LOG S: -2.65
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 2