2-cyclopentyl-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 842781
• Molecular Formular: C21H30N2O
• Molecular Mass: 326.4757
• Monoisotopic Mass: 326.23581359
• SMILES: C12(C(=O)N(CCc3ccccc3)CCC2)CN(CC1)C1CCCC1
• Canonical SMILES: O=C1N(CCCC21CCN(C2)C1CCCC1)CCc1ccccc1
• InChI: InChI=1S/C21H30N2O/c24-20-21(13-16-23(17-21)19-9-4-5-10-19)12-6-14-22(20)15-11-18-7-2-1-3-8-18/h1-3,7-8,19H,4-6,9-17H2
• InChIKey: ZBEMABNZBAGEEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.017640218
• LogD (pH = 7.4): 0.4374088
• Log P: 3.5099146
• Molar Refractivity: 98.3818 cm^3
• Polarizability: 38.51854 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.71
• LOG S: -3.47
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 4