2-(3-phenoxypropyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 552097
• Molecular Formular: C17H24N2O2
• Molecular Mass: 288.38466
• Monoisotopic Mass: 288.18377802
• SMILES: C12(C(=O)NCCC2)CN(CC1)CCCOc1ccccc1
• Canonical SMILES: O=C1NCCCC21CCN(C2)CCCOc1ccccc1
• InChI: InChI=1S/C17H24N2O2/c20-16-17(8-4-10-18-16)9-12-19(14-17)11-5-13-21-15-6-2-1-3-7-15/h1-3,6-7H,4-5,8-14H2,(H,18,20)
• InChIKey: AIWYGFAEVOVFNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-phenoxypropyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-(3-phenoxypropyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-(3-phenoxypropyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.32728
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8159772
• LogD (pH = 7.4): -0.75338084
• Log P: 1.6224118
• Molar Refractivity: 83.1219 cm^3
• Polarizability: 32.53939 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.58
• LOG S: -2.65
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 5