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

• ChemBase ID: 258995
• Molecular Formular: C9H16ClN3O2
• Molecular Mass: 233.69524
• Monoisotopic Mass: 233.09310445
• SMILES: C(=O)(C(=O)N1CCNCC1)NC1CC1.Cl
• Canonical SMILES: O=C(C(=O)NC1CC1)N1CCNCC1.Cl
• InChI: InChI=1S/C9H15N3O2.ClH/c13-8(11-7-1-2-7)9(14)12-5-3-10-4-6-12;/h7,10H,1-6H2,(H,11,13);1H
• InChIKey: SEPFQJGOHWOHTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11857909
• PubChem SID: 164314905
• PubChem CID: 43810821

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: 185 - 187°C
• Hydrophobicity(logP): -0.529

Product Information

• Purity: 95%