piperazine-1-carboxamide

• ChemBase ID: 16867
• Molecular Formular: C5H11N3O
• Molecular Mass: 129.16034
• Monoisotopic Mass: 129.09021199
• SMILES: N1(CCNCC1)C(=O)N
• Canonical SMILES: NC(=O)N1CCNCC1
• InChI: InChI=1S/C5H11N3O/c6-5(9)8-3-1-7-2-4-8/h7H,1-4H2,(H2,6,9)
• InChIKey: IVXQBCUBSIPQGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: piperazine-1-carboxamide
• IUPAC Traditional name: piperazine-1-carboxamide
• Synonyms: Piperazine-1-carboxylic acid amide

Database IDs

• CAS Number: 5623-95-0
• MDL Number: MFCD00015904
• PubChem SID: 160980174
• PubChem CID: 258192

CALCULATED PROPERTIES

• Acid pKa: 16.105839
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.7236938
• LogD (pH = 7.4): -2.010312
• Log P: -1.4524101
• Molar Refractivity: 33.6914 cm^3
• Polarizability: 13.11384 Å^3
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false