1-(piperidine-4-carbonyl)piperidine-3-carboxamide hydrochloride

• ChemBase ID: 262522
• Molecular Formular: C12H22ClN3O2
• Molecular Mass: 275.77498
• Monoisotopic Mass: 275.14005464
• SMILES: N1(C(=O)C2CCNCC2)CC(C(=O)N)CCC1.Cl
• Canonical SMILES: NC(=O)C1CCCN(C1)C(=O)C1CCNCC1.Cl
• InChI: InChI=1S/C12H21N3O2.ClH/c13-11(16)10-2-1-7-15(8-10)12(17)9-3-5-14-6-4-9;/h9-10,14H,1-8H2,(H2,13,16);1H
• InChIKey: QFHDIBYDUNWPGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidine-4-carbonyl)piperidine-3-carboxamide hydrochloride
• IUPAC Traditional name: 1-(piperidine-4-carbonyl)piperidine-3-carboxamide hydrochloride
• Synonyms: 1-(piperidin-4-ylcarbonyl)piperidine-3-carboxamide hydrochloride

Database IDs

• MDL Number: MFCD12913187
• PubChem SID: 164318432
• PubChem CID: 45792101

CALCULATED PROPERTIES

• Acid pKa: 16.431585
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.2832565
• LogD (pH = 7.4): -3.6988177
• Log P: -1.0572828
• Molar Refractivity: 64.741 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

• Melting Point: 207 - 209°C
• Hydrophobicity(logP): -1.558

Product Information

• Purity: 95%