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

• ChemBase ID: 284637
• Molecular Formular: C9H15N3O2
• Molecular Mass: 197.2343
• Monoisotopic Mass: 197.11642674
• SMILES: N1C(=O)C(NC1=O)(C1CNCCC1)C
• Canonical SMILES: O=C1NC(=O)C(N1)(C)C1CCCNC1
• InChI: InChI=1S/C9H15N3O2/c1-9(6-3-2-4-10-5-6)7(13)11-8(14)12-9/h6,10H,2-5H2,1H3,(H2,11,12,13,14)
• InChIKey: LNGSJPIUWUAKIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09809861
• PubChem SID: 180670168
• PubChem CID: 24689382

CALCULATED PROPERTIES

• Acid pKa: 9.889907
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -3.8885522
• LogD (pH = 7.4): -3.3681152
• Log P: -1.3350213
• Molar Refractivity: 50.3803 cm^3
• Polarizability: 19.84267 Å^3
• Polar Surface Area: 70.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.041

Product Information

• Purity: 95%