1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one

• ChemBase ID: 128996
• Molecular Formular: C11H19N3O2
• Molecular Mass: 225.28746
• Monoisotopic Mass: 225.14772686
• SMILES: CN1CCN(CC1)C(=O)CN1CCCC1=O
• Canonical SMILES: CN1CCN(CC1)C(=O)CN1CCCC1=O
• InChI: InChI=1S/C11H19N3O2/c1-12-5-7-13(8-6-12)11(16)9-14-4-2-3-10(14)15/h2-9H2,1H3
• InChIKey: LFLAABFVKDLEMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one
• IUPAC Traditional name: piperacetam
• Synonyms: Piperacetam

Database IDs

• CAS Number: 84762-34-5
• PubChem SID: 162223298
• PubChem CID: 133525
• Wikipedia Title: Piperacetam

CALCULATED PROPERTIES

• Acid pKa: 19.453688
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.916102
• LogD (pH = 7.4): -1.5408592
• Log P: -1.3904208
• Molar Refractivity: 60.9049 cm^3
• Polarizability: 23.504938 Å^3
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Legal Status: Unscheduled