N-(piperidin-4-yl)acetamide

• ChemBase ID: 77091
• Molecular Formular: C7H14N2O
• Molecular Mass: 142.19886
• Monoisotopic Mass: 142.11061308
• SMILES: N1CCC(NC(=O)C)CC1
• Canonical SMILES: CC(=O)NC1CCNCC1
• InChI: InChI=1S/C7H14N2O/c1-6(10)9-7-2-4-8-5-3-7/h7-8H,2-5H2,1H3,(H,9,10)
• InChIKey: YLWUSMHZABTZGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(piperidin-4-yl)acetamide
• IUPAC Traditional name: N-(piperidin-4-yl)acetamide
• Synonyms: 4-Acetamidopiperidine; N-(Piperidin-4-yl)acetamide; N-(4-Piperidinyl)acetamide; 4-Acetamidopiperidine; 4-AcetaMidopiperidine; 4-乙酰胺基-哌啶

Database IDs

• CAS Number: 5810-56-0
• MDL Number: MFCD05254805
• PubChem SID: 162041965
• PubChem CID: 1445156

CALCULATED PROPERTIES

• Acid pKa: 16.1516
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.3830576
• LogD (pH = 7.4): -3.698752
• Log P: -1.1628541
• Molar Refractivity: 39.519 cm^3
• Polarizability: 15.631624 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 141°C

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%