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

• ChemBase ID: 661226
• Molecular Formular: C17H24N2O
• Molecular Mass: 272.38526
• Monoisotopic Mass: 272.1888634
• SMILES: C1(=O)C2(CNCC2)CCCN1CCCc1ccccc1
• Canonical SMILES: O=C1N(CCCc2ccccc2)CCCC21CNCC2
• InChI: InChI=1S/C17H24N2O/c20-16-17(10-11-18-14-17)9-5-13-19(16)12-4-8-15-6-2-1-3-7-15/h1-3,6-7,18H,4-5,8-14H2
• InChIKey: AASJCXDTDCXALZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0201036
• LogD (pH = 7.4): -0.73448837
• Log P: 2.2167335
• Molar Refractivity: 81.2749 cm^3
• Polarizability: 31.873985 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.62
• LOG S: -3.42
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 4