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

• ChemBase ID: 257461
• Molecular Formular: C11H23N3O
• Molecular Mass: 213.31982
• Monoisotopic Mass: 213.18411237
• SMILES: C(=O)(C1CCNCC1)NCCCN(C)C
• Canonical SMILES: CN(CCCNC(=O)C1CCNCC1)C
• InChI: InChI=1S/C11H23N3O/c1-14(2)9-3-6-13-11(15)10-4-7-12-8-5-10/h10,12H,3-9H2,1-2H3,(H,13,15)
• InChIKey: IYOJOIMVFKLABR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD02922314
• PubChem SID: 164313371
• PubChem CID: 2186960

CALCULATED PROPERTIES

• Acid pKa: 16.303844
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -7.174255
• LogD (pH = 7.4): -5.1586275
• Log P: -0.6244301
• Molar Refractivity: 62.6787 cm^3
• Polarizability: 24.521858 Å^3
• Polar Surface Area: 44.37 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.597

Product Information

• Purity: 95%