N-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]acetamide hydrochloride

• ChemBase ID: 255633
• Molecular Formular: C10H17ClN4O2
• Molecular Mass: 260.72058
• Monoisotopic Mass: 260.10400348
• SMILES: c1(nc(on1)C)C1(NC(=O)C)CCNCC1.Cl
• Canonical SMILES: CC(=O)NC1(CCNCC1)c1noc(n1)C.Cl
• InChI: InChI=1S/C10H16N4O2.ClH/c1-7(15)13-10(3-5-11-6-4-10)9-12-8(2)16-14-9;/h11H,3-6H2,1-2H3,(H,13,15);1H
• InChIKey: RHNOJFVMEZQRPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]acetamide hydrochloride
• IUPAC Traditional name: N-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]acetamide hydrochloride
• Synonyms: N-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]acetamide hydrochloride

Database IDs

• MDL Number: MFCD09971621
• PubChem SID: 164311543
• PubChem CID: 42953455

CALCULATED PROPERTIES

• Acid pKa: 11.978738
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -4.122674
• LogD (pH = 7.4): -2.8730667
• Log P: -0.8591403
• Molar Refractivity: 58.7389 cm^3
• Polarizability: 22.16551 Å^3
• Polar Surface Area: 80.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.827

Product Information

• Purity: 95%