2-cyclopentanecarbonyl-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decane

• ChemBase ID: 489446
• Molecular Formular: C23H34N2O
• Molecular Mass: 354.52886
• Monoisotopic Mass: 354.26711372
• SMILES: N1(C(=O)C2CCCC2)CC2(CN(CCCc3ccccc3)CCC2)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2)CCCc1ccccc1)C1CCCC1
• InChI: InChI=1S/C23H34N2O/c26-22(21-11-4-5-12-21)25-17-14-23(19-25)13-7-16-24(18-23)15-6-10-20-8-2-1-3-9-20/h1-3,8-9,21H,4-7,10-19H2
• InChIKey: FZMCCEFLVDLNFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopentanecarbonyl-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 2-cyclopentanecarbonyl-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decane
• Synonyms: 2-(cyclopentylcarbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.7231153
• LogD (pH = 7.4): 2.0557473
• Log P: 4.0914826
• Molar Refractivity: 107.6107 cm^3
• Polarizability: 42.131653 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.81
• LOG S: -3.93
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 5