N-cyclopropyl-2-oxo-2-(piperazin-1-yl)acetamide

• ChemBase ID: 259226
• Molecular Formular: C9H15N3O2
• Molecular Mass: 197.2343
• Monoisotopic Mass: 197.11642674
• SMILES: C(=O)(C(=O)N1CCNCC1)NC1CC1
• Canonical SMILES: O=C(C(=O)NC1CC1)N1CCNCC1
• InChI: InChI=1S/C9H15N3O2/c13-8(11-7-1-2-7)9(14)12-5-3-10-4-6-12/h7,10H,1-6H2,(H,11,13)
• InChIKey: MJEUDGKBRDZOST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-2-oxo-2-(piperazin-1-yl)acetamide
• IUPAC Traditional name: N-cyclopropyl-2-oxo-2-(piperazin-1-yl)acetamide
• Synonyms: N-cyclopropyl-2-oxo-2-(piperazin-1-yl)acetamide

Database IDs

• MDL Number: MFCD10011307
• PubChem SID: 164315136
• PubChem CID: 28507120

CALCULATED PROPERTIES

• Acid pKa: 12.984368
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.2766817
• LogD (pH = 7.4): -1.642342
• Log P: -1.2769724
• Molar Refractivity: 50.7397 cm^3
• Polarizability: 19.84267 Å^3
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 100 - 102°C
• Hydrophobicity(logP): -0.529

Product Information

• Purity: 95%