1-(piperidine-4-carbonyl)piperidine-4-carboxamide

• ChemBase ID: 257332
• Molecular Formular: C12H21N3O2
• Molecular Mass: 239.31404
• Monoisotopic Mass: 239.16337693
• SMILES: N1(C(=O)C2CCNCC2)CCC(C(=O)N)CC1
• Canonical SMILES: O=C(C1CCNCC1)N1CCC(CC1)C(=O)N
• InChI: InChI=1S/C12H21N3O2/c13-11(16)9-3-7-15(8-4-9)12(17)10-1-5-14-6-2-10/h9-10,14H,1-8H2,(H2,13,16)
• InChIKey: ZPXPBAVOOBWSRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidine-4-carbonyl)piperidine-4-carboxamide
• IUPAC Traditional name: 1-(piperidine-4-carbonyl)piperidine-4-carboxamide
• Synonyms: 1-(piperidin-4-ylcarbonyl)piperidine-4-carboxamide

Database IDs

• MDL Number: MFCD06740222
• PubChem SID: 164313242
• PubChem CID: 7183149

CALCULATED PROPERTIES

• Acid pKa: 16.3815
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.4391646
• LogD (pH = 7.4): -3.8547251
• Log P: -1.2131903
• Molar Refractivity: 64.895 cm^3
• Polarizability: 25.33901 Å^3
• Polar Surface Area: 75.43 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -2.844

Product Information

• Purity: 95%