8-[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 630608
• Molecular Formular: C19H26FN3O2
• Molecular Mass: 347.4270432
• Monoisotopic Mass: 347.20090531
• SMILES: C(=O)(N1CCC2(CN(C(=O)C2)C)CC1)C(c1cc(F)ccc1)N(C)C
• Canonical SMILES: CN(C(C(=O)N1CCC2(CC1)CC(=O)N(C2)C)c1cccc(c1)F)C
• InChI: InChI=1S/C19H26FN3O2/c1-21(2)17(14-5-4-6-15(20)11-14)18(25)23-9-7-19(8-10-23)12-16(24)22(3)13-19/h4-6,11,17H,7-10,12-13H2,1-3H3
• InChIKey: OFIYQTXNDSUNSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 8-[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 8-[(dimethylamino)(3-fluorophenyl)acetyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.6371493
• LogD (pH = 7.4): 0.69487256
• Log P: 0.8276683
• Molar Refractivity: 94.8237 cm^3
• Polarizability: 36.42526 Å^3
• Polar Surface Area: 43.86 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 3
• H Acceptors: 3
• H Donor: 0
• Log P: 1.79
• LOG S: -3.26
• Polar Surface Area: 43.86 Å^2