N-(piperidin-4-yl)cyclobutanecarboxamide hydrochloride

• ChemBase ID: 45844
• Molecular Formular: C10H19ClN2O
• Molecular Mass: 218.72366
• Monoisotopic Mass: 218.11859092
• SMILES: C(=O)(NC1CCNCC1)C1CCC1.Cl
• Canonical SMILES: O=C(C1CCC1)NC1CCNCC1.Cl
• InChI: InChI=1S/C10H18N2O.ClH/c13-10(8-2-1-3-8)12-9-4-6-11-7-5-9;/h8-9,11H,1-7H2,(H,12,13);1H
• InChIKey: VZUFQIRXZWZSAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(piperidin-4-yl)cyclobutanecarboxamide hydrochloride
• IUPAC Traditional name: N-(piperidin-4-yl)cyclobutanecarboxamide hydrochloride
• Synonyms: N-(4-Piperidinyl)cyclobutanecarboxamide hydrochloride

Database IDs

• MDL Number: MFCD13559826
• PubChem SID: 162050607
• PubChem CID: 53255587

CALCULATED PROPERTIES

• Acid pKa: 16.00165
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.158695
• LogD (pH = 7.4): -2.4743867
• Log P: 0.061510816
• Molar Refractivity: 51.5192 cm^3
• Polarizability: 20.424976 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false