N-(piperidin-1-yl)cyclohexanecarboxamide

• ChemBase ID: 112720
• Molecular Formular: C12H22N2O
• Molecular Mass: 210.31588
• Monoisotopic Mass: 210.17321333
• SMILES: O=C(NN1CCCCC1)C1CCCCC1
• Canonical SMILES: O=C(C1CCCCC1)NN1CCCCC1
• InChI: InChI=1S/C12H22N2O/c15-12(11-7-3-1-4-8-11)13-14-9-5-2-6-10-14/h11H,1-10H2,(H,13,15)
• InChIKey: BRWWNHOBSIVPQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(piperidin-1-yl)cyclohexanecarboxamide
• IUPAC Traditional name: N-(piperidin-1-yl)cyclohexanecarboxamide
• Synonyms: PIPERIDINO CYCLOHEXYLCARBOXAMIDE

Database IDs

• PubChem SID: 162106864
• PubChem CID: 17164620

CALCULATED PROPERTIES

• Acid pKa: 12.835782
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8021225
• LogD (pH = 7.4): 1.8028636
• Log P: 1.8028744
• Molar Refractivity: 60.9035 cm^3
• Polarizability: 24.00762 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05225498

MP Biomedicals Rare Chemical collection