2-cyclopentyl-N-(piperidin-4-yl)acetamide hydrochloride

• ChemBase ID: 272556
• Molecular Formular: C12H23ClN2O
• Molecular Mass: 246.77682
• Monoisotopic Mass: 246.14989105
• SMILES: C(=O)(NC1CCNCC1)CC1CCCC1.Cl
• Canonical SMILES: O=C(NC1CCNCC1)CC1CCCC1.Cl
• InChI: InChI=1S/C12H22N2O.ClH/c15-12(9-10-3-1-2-4-10)14-11-5-7-13-8-6-11;/h10-11,13H,1-9H2,(H,14,15);1H
• InChIKey: KCCREOJNABQOGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopentyl-N-(piperidin-4-yl)acetamide hydrochloride
• IUPAC Traditional name: 2-cyclopentyl-N-(piperidin-4-yl)acetamide hydrochloride
• Synonyms: 2-cyclopentyl-N-(piperidin-4-yl)acetamide hydrochloride

Database IDs

• MDL Number: MFCD18380715
• PubChem SID: 164328466
• PubChem CID: 50988753

CALCULATED PROPERTIES

• Acid pKa: 16.142715
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.5255334
• LogD (pH = 7.4): -1.8412169
• Log P: 0.694681
• Molar Refractivity: 60.6953 cm^3
• Polarizability: 24.10781 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 244 - 246°C
• Hydrophobicity(logP): 0.625

Product Information

• Purity: 95%