N-[1-(propan-2-yl)piperidin-4-yl]acetamide

• ChemBase ID: 240838
• Molecular Formular: C10H20N2O
• Molecular Mass: 184.2786
• Monoisotopic Mass: 184.15756327
• SMILES: N1(CCC(NC(=O)C)CC1)C(C)C
• Canonical SMILES: CC(=O)NC1CCN(CC1)C(C)C
• InChI: InChI=1S/C10H20N2O/c1-8(2)12-6-4-10(5-7-12)11-9(3)13/h8,10H,4-7H2,1-3H3,(H,11,13)
• InChIKey: HQEOYQPFHOXFOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(propan-2-yl)piperidin-4-yl]acetamide
• IUPAC Traditional name: N-(1-isopropylpiperidin-4-yl)acetamide
• Synonyms: N-[1-(propan-2-yl)piperidin-4-yl]acetamide

Database IDs

• MDL Number: MFCD12129861
• PubChem SID: 164296748
• PubChem CID: 21132014

CALCULATED PROPERTIES

• Acid pKa: 16.299328
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.2652287
• LogD (pH = 7.4): -1.7343876
• Log P: -0.006423156
• Molar Refractivity: 53.9811 cm^3
• Polarizability: 21.152966 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 84 - 86°C
• Hydrophobicity(logP): -0.182

Product Information

• Purity: 95%