5-(1-methylpiperidin-2-yl)-1,2-dihydropyridin-2-one

• ChemBase ID: 274464
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: c1(c[nH]c(=O)cc1)C1N(C)CCCC1
• Canonical SMILES: CN1CCCCC1c1ccc(=O)[nH]c1
• InChI: InChI=1S/C11H16N2O/c1-13-7-3-2-4-10(13)9-5-6-11(14)12-8-9/h5-6,8,10H,2-4,7H2,1H3,(H,12,14)
• InChIKey: WYMUGJASASTBCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(1-methylpiperidin-2-yl)-1,2-dihydropyridin-2-one
• IUPAC Traditional name: 5-(1-methylpiperidin-2-yl)-1H-pyridin-2-one
• Synonyms: 5-(1-methylpiperidin-2-yl)-1,2-dihydropyridin-2-one

Database IDs

• MDL Number: MFCD18838822
• PubChem SID: 164330374
• PubChem CID: 54593179

CALCULATED PROPERTIES

• Acid pKa: 11.181218
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4511833
• LogD (pH = 7.4): -0.7566582
• Log P: 0.59833175
• Molar Refractivity: 57.641 cm^3
• Polarizability: 21.784323 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.225

Product Information

• Purity: 95%