N-(piperidin-4-yl)cyclopentanecarboxamide

• ChemBase ID: 17560
• Molecular Formular: C11H20N2O
• Molecular Mass: 196.2893
• Monoisotopic Mass: 196.15756327
• SMILES: C1(C(=O)NC2CCNCC2)CCCC1
• Canonical SMILES: O=C(C1CCCC1)NC1CCNCC1
• InChI: InChI=1S/C11H20N2O/c14-11(9-3-1-2-4-9)13-10-5-7-12-8-6-10/h9-10,12H,1-8H2,(H,13,14)
• InChIKey: WCCWHEDYTQBSPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(piperidin-4-yl)cyclopentanecarboxamide
• IUPAC Traditional name: N-(piperidin-4-yl)cyclopentanecarboxamide
• Synonyms: Cyclopentanecarboxylic acid piperidin-4-ylamide

Database IDs

• MDL Number: MFCD07186511
• PubChem SID: 160980867
• PubChem CID: 3163332

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