2-(3-oxopiperazin-1-yl)-N-[1-(pyrazin-2-yl)propan-2-yl]acetamide

• ChemBase ID: 856805
• Molecular Formular: C13H19N5O2
• Molecular Mass: 277.32226
• Monoisotopic Mass: 277.15387487
• SMILES: N1(CC(=O)NC(Cc2nccnc2)C)CC(=O)NCC1
• Canonical SMILES: CC(Cc1cnccn1)NC(=O)CN1CCNC(=O)C1
• InChI: InChI=1S/C13H19N5O2/c1-10(6-11-7-14-2-3-15-11)17-13(20)9-18-5-4-16-12(19)8-18/h2-3,7,10H,4-6,8-9H2,1H3,(H,16,19)(H,17,20)
• InChIKey: JNOZOFMRYJUMOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-oxopiperazin-1-yl)-N-[1-(pyrazin-2-yl)propan-2-yl]acetamide
• IUPAC Traditional name: 2-(3-oxopiperazin-1-yl)-N-[1-(pyrazin-2-yl)propan-2-yl]acetamide
• Synonyms: N-[1-methyl-2-(2-pyrazinyl)ethyl]-2-(3-oxo-1-piperazinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.80353
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -2.245701
• LogD (pH = 7.4): -2.1688085
• Log P: -2.1677341
• Molar Refractivity: 72.5209 cm^3
• Polarizability: 28.363226 Å^3
• Polar Surface Area: 87.22 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -0.93
• LOG S: 0.98
• Polar Surface Area: 87.22 Å^2
• Rotatable Bonds: 5