2-chloro-N-[4-(piperidine-1-carbonyl)phenyl]acetamide

• ChemBase ID: 72298
• Molecular Formular: C14H17ClN2O2
• Molecular Mass: 280.74998
• Monoisotopic Mass: 280.09785547
• SMILES: c1c(ccc(c1)C(=O)N1CCCCC1)NC(=O)CCl
• Canonical SMILES: ClCC(=O)Nc1ccc(cc1)C(=O)N1CCCCC1
• InChI: InChI=1S/C14H17ClN2O2/c15-10-13(18)16-12-6-4-11(5-7-12)14(19)17-8-2-1-3-9-17/h4-7H,1-3,8-10H2,(H,16,18)
• InChIKey: FDFMSUXZLSYSOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
• IUPAC Traditional name: 2-chloro-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
• Synonyms: 2-Chloro-N-[4-(piperidin-1-ylcarbonyl)-phenyl]acetamide

Database IDs

• PubChem SID: 162104103
• PubChem CID: 49875699

CALCULATED PROPERTIES

• Acid pKa: 12.959258
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8966573
• LogD (pH = 7.4): 1.8966573
• Log P: 1.8966585
• Molar Refractivity: 76.688 cm^3
• Polarizability: 28.374083 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT