piperazine-2-carboxamide

• ChemBase ID: 252452
• Molecular Formular: C5H11N3O
• Molecular Mass: 129.16034
• Monoisotopic Mass: 129.09021199
• SMILES: C1(C(=O)N)NCCNC1
• Canonical SMILES: NC(=O)C1CNCCN1
• InChI: InChI=1S/C5H11N3O/c6-5(9)4-3-7-1-2-8-4/h4,7-8H,1-3H2,(H2,6,9)
• InChIKey: BRYCUMKDWMEGMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: piperazine-2-carboxamide
• IUPAC Traditional name: piperazine-2-carboxamide
• Synonyms: piperazine-2-carboxamide

Database IDs

• CAS Number: 84501-64-4
• MDL Number: MFCD01632533
• PubChem SID: 164308362
• PubChem CID: 3019914

CALCULATED PROPERTIES

• Acid pKa: 16.268574
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -4.68011
• LogD (pH = 7.4): -3.002675
• Log P: -1.8458098
• Molar Refractivity: 33.1009 cm^3
• Polarizability: 13.488714 Å^3
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 142 - 144°C
• Hydrophobicity(logP): -1.853

Product Information

• Purity: 95%