2,6-dioxopiperidine-4-carboxamide

• ChemBase ID: 810592
• Molecular Formular: C6H8N2O3
• Molecular Mass: 156.13932
• Monoisotopic Mass: 156.05349213
• SMILES: C1(CC(=O)NC(=O)C1)C(=O)N
• Canonical SMILES: O=C1NC(=O)CC(C1)C(=O)N
• InChI: InChI=1S/C6H8N2O3/c7-6(11)3-1-4(9)8-5(10)2-3/h3H,1-2H2,(H2,7,11)(H,8,9,10)
• InChIKey: ZDUKFPJDZKKYIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dioxopiperidine-4-carboxamide
• IUPAC Traditional name: 2,6-dioxopiperidine-4-carboxamide
• Synonyms: 2,6-DIOXO-PIPERIDINE-4-CARBOXYLIC ACID AMIDE

CALCULATED PROPERTIES

• Acid pKa: 11.790752
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.1331012
• LogD (pH = 7.4): -2.1331184
• Log P: -2.133101
• Molar Refractivity: 34.9445 cm^3
• Polarizability: 13.712134 Å^3
• Polar Surface Area: 89.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%