N-[3-(diethylamino)propyl]piperidine-4-carboxamide

• ChemBase ID: 257430
• Molecular Formular: C13H27N3O
• Molecular Mass: 241.37298
• Monoisotopic Mass: 241.2154125
• SMILES: C(=O)(C1CCNCC1)NCCCN(CC)CC
• Canonical SMILES: CCN(CCCNC(=O)C1CCNCC1)CC
• InChI: InChI=1S/C13H27N3O/c1-3-16(4-2)11-5-8-15-13(17)12-6-9-14-10-7-12/h12,14H,3-11H2,1-2H3,(H,15,17)
• InChIKey: KOMUJNWNMHAEHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(diethylamino)propyl]piperidine-4-carboxamide
• IUPAC Traditional name: N-[3-(diethylamino)propyl]piperidine-4-carboxamide
• Synonyms: N-[3-(diethylamino)propyl]piperidine-4-carboxamide

Database IDs

• MDL Number: MFCD08442970
• PubChem SID: 164313340
• PubChem CID: 16769745

CALCULATED PROPERTIES

• Acid pKa: 16.360409
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -6.579203
• LogD (pH = 7.4): -4.9564147
• Log P: 0.0891858
• Molar Refractivity: 72.1759 cm^3
• Polarizability: 28.207392 Å^3
• Polar Surface Area: 44.37 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.461

Product Information

• Purity: 95%