1-(2-oxo-2-{9-oxo-octahydro-1H-pyrazino[1,2-a]piperazin-2-yl}ethyl)piperidin-2-one

• ChemBase ID: 450106
• Molecular Formular: C14H22N4O3
• Molecular Mass: 294.34948
• Monoisotopic Mass: 294.16919058
• SMILES: C12CN(C(=O)CN3C(=O)CCCC3)CCN1CCNC2=O
• Canonical SMILES: O=C(N1CCN2C(C1)C(=O)NCC2)CN1CCCCC1=O
• InChI: InChI=1S/C14H22N4O3/c19-12-3-1-2-5-17(12)10-13(20)18-8-7-16-6-4-15-14(21)11(16)9-18/h11H,1-10H2,(H,15,21)
• InChIKey: LTPICVMIFKFDDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-oxo-2-{9-oxo-octahydro-1H-pyrazino[1,2-a]piperazin-2-yl}ethyl)piperidin-2-one
• IUPAC Traditional name: 1-(2-oxo-2-{9-oxo-hexahydro-1H-pyrazino[1,2-a]piperazin-2-yl}ethyl)piperidin-2-one
• Synonyms: 8-[(2-oxopiperidin-1-yl)acetyl]hexahydro-2H-pyrazino[1,2-a]pyrazin-1(6H)-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.995079
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.0969546
• LogD (pH = 7.4): -2.011904
• Log P: -2.010704
• Molar Refractivity: 76.0857 cm^3
• Polarizability: 29.557482 Å^3
• Polar Surface Area: 72.96 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.11
• LOG S: -2.75
• Polar Surface Area: 72.96 Å^2
• Rotatable Bonds: 2