8-cyclopentyl-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 553034
• Molecular Formular: C20H28N2O
• Molecular Mass: 312.44912
• Monoisotopic Mass: 312.22016353
• SMILES: C1(=O)N(C2(CC1c1ccccc1)CCN(CC2)C1CCCC1)C
• Canonical SMILES: O=C1C(CC2(N1C)CCN(CC2)C1CCCC1)c1ccccc1
• InChI: InChI=1S/C20H28N2O/c1-21-19(23)18(16-7-3-2-4-8-16)15-20(21)11-13-22(14-12-20)17-9-5-6-10-17/h2-4,7-8,17-18H,5-6,9-15H2,1H3
• InChIKey: OLEICBJXMFRULM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-cyclopentyl-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-cyclopentyl-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-cyclopentyl-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.79794246
• LogD (pH = 7.4): 0.3396926
• Log P: 2.6261337
• Molar Refractivity: 93.578 cm^3
• Polarizability: 36.671844 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: 3.37
• LOG S: -4.36
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 2