N-methyl-2-(2-oxopiperazin-1-yl)acetamide

• ChemBase ID: 285168
• Molecular Formular: C7H13N3O2
• Molecular Mass: 171.19702
• Monoisotopic Mass: 171.10077667
• SMILES: N1(C(=O)CNCC1)CC(=O)NC
• Canonical SMILES: CNC(=O)CN1CCNCC1=O
• InChI: InChI=1S/C7H13N3O2/c1-8-6(11)5-10-3-2-9-4-7(10)12/h9H,2-5H2,1H3,(H,8,11)
• InChIKey: LDTWDOXMRZZBRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-(2-oxopiperazin-1-yl)acetamide
• IUPAC Traditional name: N-methyl-2-(2-oxopiperazin-1-yl)acetamide
• Synonyms: N-methyl-2-(2-oxopiperazin-1-yl)acetamide

Database IDs

• MDL Number: MFCD16706542
• PubChem SID: 180670699
• PubChem CID: 56828655

CALCULATED PROPERTIES

• Acid pKa: 15.613253
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.6217594
• LogD (pH = 7.4): -2.4391904
• Log P: -2.3512938
• Molar Refractivity: 43.2281 cm^3
• Polarizability: 16.899183 Å^3
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.599

Product Information

• Purity: 95%