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

• ChemBase ID: 655717
• Molecular Formular: C24H29N3O2
• Molecular Mass: 391.50596
• Monoisotopic Mass: 391.22597718
• SMILES: C12(C(=O)N(CCCc3ccccc3)CCC2)CN(C(=O)Cc2ncccc2)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2=O)CCCc1ccccc1)Cc1ccccn1
• InChI: InChI=1S/C24H29N3O2/c28-22(18-21-11-4-5-14-25-21)27-17-13-24(19-27)12-7-16-26(23(24)29)15-6-10-20-8-2-1-3-9-20/h1-5,8-9,11,14H,6-7,10,12-13,15-19H2
• InChIKey: PYLSVZRXAYMMEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.8019576
• LogD (pH = 7.4): 2.828839
• Log P: 2.8291936
• Molar Refractivity: 113.0338 cm^3
• Polarizability: 43.922234 Å^3
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.3
• LOG S: -4.37
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 6