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

• ChemBase ID: 608348
• Molecular Formular: C23H33N3O2
• Molecular Mass: 383.52702
• Monoisotopic Mass: 383.25727731
• SMILES: C12(C(=O)N(CCC3CCCCC3)CCC2)CN(C(=O)Cc2cnccc2)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2=O)CCC1CCCCC1)Cc1cccnc1
• InChI: InChI=1S/C23H33N3O2/c27-21(16-20-8-4-12-24-17-20)26-15-11-23(18-26)10-5-13-25(22(23)28)14-9-19-6-2-1-3-7-19/h4,8,12,17,19H,1-3,5-7,9-11,13-16,18H2
• InChIKey: QAVDOZHNBBOURE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.3855038
• LogD (pH = 7.4): 2.4653916
• Log P: 2.4665384
• Molar Refractivity: 109.8602 cm^3
• Polarizability: 42.80515 Å^3
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.0
• LOG S: -3.93
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 5