2-cyclopentanecarbonyl-7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 384462
• Molecular Formular: C22H30N2O3
• Molecular Mass: 370.4852
• Monoisotopic Mass: 370.22564283
• SMILES: C12(C(=O)N(Cc3cc(OC)ccc3)CCC2)CN(C(=O)C2CCCC2)CC1
• Canonical SMILES: COc1cccc(c1)CN1CCCC2(C1=O)CCN(C2)C(=O)C1CCCC1
• InChI: InChI=1S/C22H30N2O3/c1-27-19-9-4-6-17(14-19)15-23-12-5-10-22(21(23)26)11-13-24(16-22)20(25)18-7-2-3-8-18/h4,6,9,14,18H,2-3,5,7-8,10-13,15-16H2,1H3
• InChIKey: HRTGXQMTNDEBIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopentanecarbonyl-7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-cyclopentanecarbonyl-7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-(cyclopentylcarbonyl)-7-(3-methoxybenzyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.6047072
• LogD (pH = 7.4): 2.6047082
• Log P: 2.6047082
• Molar Refractivity: 104.5492 cm^3
• Polarizability: 40.698063 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.04
• LOG S: -3.13
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 3