1-{1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl}propan-1-one

• ChemBase ID: 849137
• Molecular Formular: C18H26N2O
• Molecular Mass: 286.41184
• Monoisotopic Mass: 286.20451346
• SMILES: C12(N(CC(C1)c1ccccc1)C)CCN(C(=O)CC)CC2
• Canonical SMILES: CCC(=O)N1CCC2(CC1)CC(CN2C)c1ccccc1
• InChI: InChI=1S/C18H26N2O/c1-3-17(21)20-11-9-18(10-12-20)13-16(14-19(18)2)15-7-5-4-6-8-15/h4-8,16H,3,9-14H2,1-2H3
• InChIKey: YURBUZQBYOZMSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl}propan-1-one
• IUPAC Traditional name: 1-{1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl}propan-1-one
• Synonyms: 1-methyl-3-phenyl-8-propionyl-1,8-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.4590269
• LogD (pH = 7.4): -0.35981187
• Log P: 1.9727488
• Molar Refractivity: 86.3345 cm^3
• Polarizability: 33.63961 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.65
• LOG S: -3.55
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 2