piperidine-2,4-dicarboxamide

• ChemBase ID: 236256
• Molecular Formular: C7H13N3O2
• Molecular Mass: 171.19702
• Monoisotopic Mass: 171.10077667
• SMILES: C(=O)(C1CC(C(=O)N)CCN1)N
• Canonical SMILES: NC(=O)C1CCNC(C1)C(=O)N
• InChI: InChI=1S/C7H13N3O2/c8-6(11)4-1-2-10-5(3-4)7(9)12/h4-5,10H,1-3H2,(H2,8,11)(H2,9,12)
• InChIKey: YVALHEFNVSPYNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: piperidine-2,4-dicarboxamide
• IUPAC Traditional name: piperidine-2,4-dicarboxamide
• Synonyms: piperidine-2,4-dicarboxamide

Database IDs

• MDL Number: MFCD22196553
• PubChem SID: 164292166
• PubChem CID: 71755679

CALCULATED PROPERTIES

• Acid pKa: 15.819728
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -4.9467964
• LogD (pH = 7.4): -3.3306098
• Log P: -2.0437136
• Molar Refractivity: 42.5496 cm^3
• Polarizability: 16.899183 Å^3
• Polar Surface Area: 98.21 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -2.736

Product Information

• Purity: 95%