5-(piperidin-3-yl)imidazolidine-2,4-dione

• ChemBase ID: 261924
• Molecular Formular: C8H13N3O2
• Molecular Mass: 183.20772
• Monoisotopic Mass: 183.10077667
• SMILES: N1C(=O)C(NC1=O)C1CNCCC1
• Canonical SMILES: O=C1NC(=O)C(N1)C1CCCNC1
• InChI: InChI=1S/C8H13N3O2/c12-7-6(10-8(13)11-7)5-2-1-3-9-4-5/h5-6,9H,1-4H2,(H2,10,11,12,13)
• InChIKey: STKSTNZXCSBULU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(piperidin-3-yl)imidazolidine-2,4-dione
• IUPAC Traditional name: 5-(piperidin-3-yl)imidazolidine-2,4-dione
• Synonyms: 5-(piperidin-3-yl)imidazolidine-2,4-dione

Database IDs

• MDL Number: MFCD12913029
• PubChem SID: 164317834
• PubChem CID: 45791932

CALCULATED PROPERTIES

• Acid pKa: 9.730615
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -4.3208537
• LogD (pH = 7.4): -3.7903557
• Log P: -1.8737751
• Molar Refractivity: 45.667 cm^3
• Polarizability: 18.015432 Å^3
• Polar Surface Area: 70.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.56

Product Information

• Purity: 95%