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

• ChemBase ID: 583767
• Molecular Formular: C17H23N3O2
• Molecular Mass: 301.38342
• Monoisotopic Mass: 301.17902699
• SMILES: C12(C(=O)N(CCC2)C)CN(C(=O)CCc2ncccc2)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2=O)C)CCc1ccccn1
• InChI: InChI=1S/C17H23N3O2/c1-19-11-4-8-17(16(19)22)9-12-20(13-17)15(21)7-6-14-5-2-3-10-18-14/h2-3,5,10H,4,6-9,11-13H2,1H3
• InChIKey: MGIPMLNRDPBTGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-2-[3-(pyridin-2-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-methyl-2-[3-(pyridin-2-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-methyl-2-[3-(2-pyridinyl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• LogD (pH = 7.4): 0.30350968
• Log P: 0.30412486
• Molar Refractivity: 83.6144 cm^3
• Polarizability: 32.49253 Å^3
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.25796512

供应商提供(Chembridge)

• Log P: 0.53
• LOG S: -0.55
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 3
• H Acceptors: 3
• H Donor: 0