2-(cyclopropylmethyl)-8-[(5-ethylpyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 864077
• Molecular Formular: C21H31N3O
• Molecular Mass: 341.49034
• Monoisotopic Mass: 341.24671263
• SMILES: N1(C(=O)CCC2(C1)CN(Cc1ncc(cc1)CC)CCC2)CC1CC1
• Canonical SMILES: CCc1ccc(nc1)CN1CCCC2(C1)CCC(=O)N(C2)CC1CC1
• InChI: InChI=1S/C21H31N3O/c1-2-17-6-7-19(22-12-17)14-23-11-3-9-21(15-23)10-8-20(25)24(16-21)13-18-4-5-18/h6-7,12,18H,2-5,8-11,13-16H2,1H3
• InChIKey: ZOECILOMIZVHOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclopropylmethyl)-8-[(5-ethylpyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-(cyclopropylmethyl)-8-[(5-ethylpyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-(cyclopropylmethyl)-8-[(5-ethyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.46839413
• LogD (pH = 7.4): 2.1426547
• Log P: 2.55746
• Molar Refractivity: 100.5139 cm^3
• Polarizability: 39.367607 Å^3
• Polar Surface Area: 36.44 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: 2.48
• LOG S: -2.51
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 5