2-(2-hydroxyethyl)-8-(pyrazin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 697299
• Molecular Formular: C15H22N4O2
• Molecular Mass: 290.36078
• Monoisotopic Mass: 290.17427596
• SMILES: N1(C(=O)CCC2(C1)CN(c1nccnc1)CCC2)CCO
• Canonical SMILES: OCCN1CC2(CCCN(C2)c2cnccn2)CCC1=O
• InChI: InChI=1S/C15H22N4O2/c20-9-8-19-12-15(4-2-14(19)21)3-1-7-18(11-15)13-10-16-5-6-17-13/h5-6,10,20H,1-4,7-9,11-12H2
• InChIKey: OFHRFPPEPCMAPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-hydroxyethyl)-8-(pyrazin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-(2-hydroxyethyl)-8-(pyrazin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-(2-hydroxyethyl)-8-(2-pyrazinyl)-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.574227
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.40936112
• LogD (pH = 7.4): -0.4092503
• Log P: -0.40924886
• Molar Refractivity: 79.7867 cm^3
• Polarizability: 30.330357 Å^3
• Polar Surface Area: 69.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.02
• LOG S: -2.65
• Polar Surface Area: 69.56 Å^2
• Rotatable Bonds: 3