2-(4-benzoylpiperazin-1-yl)acetohydrazide

• ChemBase ID: 239859
• Molecular Formular: C13H18N4O2
• Molecular Mass: 262.30762
• Monoisotopic Mass: 262.14297584
• SMILES: C(=O)(N1CCN(CC(=O)NN)CC1)c1ccccc1
• Canonical SMILES: NNC(=O)CN1CCN(CC1)C(=O)c1ccccc1
• InChI: InChI=1S/C13H18N4O2/c14-15-12(18)10-16-6-8-17(9-7-16)13(19)11-4-2-1-3-5-11/h1-5H,6-10,14H2,(H,15,18)
• InChIKey: FNRQJRUNTLQJCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-benzoylpiperazin-1-yl)acetohydrazide
• IUPAC Traditional name: 2-(4-benzoylpiperazin-1-yl)acetohydrazide
• Synonyms: 2-(4-benzoylpiperazin-1-yl)acetohydrazide

Database IDs

• MDL Number: MFCD02725029
• PubChem SID: 164295769
• PubChem CID: 16637145

CALCULATED PROPERTIES

• Acid pKa: 12.338234
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.76089394
• LogD (pH = 7.4): -0.5114045
• Log P: -0.50707716
• Molar Refractivity: 73.3708 cm^3
• Polarizability: 27.655136 Å^3
• Polar Surface Area: 78.67 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.01

Product Information

• Purity: 95%