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

• ChemBase ID: 263546
• Molecular Formular: C12H22N2O
• Molecular Mass: 210.31588
• Monoisotopic Mass: 210.17321333
• SMILES: C(=O)(NC1CCCC1)CC1CCNCC1
• Canonical SMILES: O=C(NC1CCCC1)CC1CCNCC1
• InChI: InChI=1S/C12H22N2O/c15-12(14-11-3-1-2-4-11)9-10-5-7-13-8-6-10/h10-11,13H,1-9H2,(H,14,15)
• InChIKey: JRAXJLNYJPWARE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09934372
• PubChem SID: 164319456
• PubChem CID: 24695774

CALCULATED PROPERTIES

• Acid pKa: 16.146395
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.3811398
• LogD (pH = 7.4): -1.7155452
• Log P: 0.84026897
• Molar Refractivity: 60.7825 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

• Hydrophobicity(logP): 0.625

Product Information

• Purity: 95%