N,N-dimethylpiperazine-2-carboxamide

• ChemBase ID: 235428
• Molecular Formular: C7H15N3O
• Molecular Mass: 157.2135
• Monoisotopic Mass: 157.12151212
• SMILES: C(=O)(C1NCCNC1)N(C)C
• Canonical SMILES: CN(C(=O)C1NCCNC1)C
• InChI: InChI=1S/C7H15N3O/c1-10(2)7(11)6-5-8-3-4-9-6/h6,8-9H,3-5H2,1-2H3
• InChIKey: MVWYSRAIAUAMJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethylpiperazine-2-carboxamide
• IUPAC Traditional name: N,N-dimethylpiperazine-2-carboxamide
• Synonyms: N,N-dimethylpiperazine-2-carboxamide

Database IDs

• MDL Number: MFCD18268340
• PubChem SID: 164291338
• PubChem CID: 21295694

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.235822
• LogD (pH = 7.4): -2.5589259
• Log P: -1.3984578
• Molar Refractivity: 42.8943 cm^3
• Polarizability: 17.160337 Å^3
• Polar Surface Area: 44.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.881

Product Information

• Purity: 95%