N-(piperidin-4-yl)cyclopentanecarboxamide hydrochloride

• ChemBase ID: 45864
• Molecular Formular: C11H21ClN2O
• Molecular Mass: 232.75024
• Monoisotopic Mass: 232.13424098
• SMILES: C(=O)(NC1CCNCC1)C1CCCC1.Cl
• Canonical SMILES: O=C(C1CCCC1)NC1CCNCC1.Cl
• InChI: InChI=1S/C11H20N2O.ClH/c14-11(9-3-1-2-4-9)13-10-5-7-12-8-6-10;/h9-10,12H,1-8H2,(H,13,14);1H
• InChIKey: RWEZJMFXVVOLLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13559839
• PubChem SID: 162050627
• PubChem CID: 53255588

CALCULATED PROPERTIES

• Acid pKa: 16.050127
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.7141285
• LogD (pH = 7.4): -2.029818
• Log P: 0.5060795
• Molar Refractivity: 56.1202 cm^3
• Polarizability: 22.265976 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