3-(1-methyl-1H-imidazole-2-carbonyl)piperidine

• ChemBase ID: 306876
• Molecular Formular: C10H15N3O
• Molecular Mass: 193.2456
• Monoisotopic Mass: 193.12151212
• SMILES: c1(C(=O)C2CNCCC2)n(ccn1)C
• Canonical SMILES: O=C(c1nccn1C)C1CCCNC1
• InChI: InChI=1S/C10H15N3O/c1-13-6-5-12-10(13)9(14)8-3-2-4-11-7-8/h5-6,8,11H,2-4,7H2,1H3
• InChIKey: MTHKDOTZRBJKEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1-methyl-1H-imidazole-2-carbonyl)piperidine
• IUPAC Traditional name: 3-(1-methylimidazole-2-carbonyl)piperidine
• Synonyms: (1-methyl-1H-imidazol-2-yl)(piperidin-3-yl)methanone

Database IDs

• MDL Number: MFCD08669775

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.895809
• LogD (pH = 7.4): -1.7245629
• Log P: 0.2731296
• Molar Refractivity: 54.0671 cm^3
• Polarizability: 20.816648 Å^3
• Polar Surface Area: 46.92 Å^2