1-(piperidine-4-carbonyl)pyrrolidine-2-carboxamide hydrochloride

• ChemBase ID: 260461
• Molecular Formular: C11H20ClN3O2
• Molecular Mass: 261.7484
• Monoisotopic Mass: 261.12440458
• SMILES: N1(C(=O)C2CCNCC2)C(C(=O)N)CCC1.Cl
• Canonical SMILES: NC(=O)C1CCCN1C(=O)C1CCNCC1.Cl
• InChI: InChI=1S/C11H19N3O2.ClH/c12-10(15)9-2-1-7-14(9)11(16)8-3-5-13-6-4-8;/h8-9,13H,1-7H2,(H2,12,15);1H
• InChIKey: XBRJLFTXOAHPSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidine-4-carbonyl)pyrrolidine-2-carboxamide hydrochloride
• IUPAC Traditional name: 1-(piperidine-4-carbonyl)pyrrolidine-2-carboxamide hydrochloride
• Synonyms: 1-(piperidin-4-ylcarbonyl)pyrrolidine-2-carboxamide hydrochloride

Database IDs

• MDL Number: MFCD12197216
• PubChem SID: 164316371
• PubChem CID: 45791595

CALCULATED PROPERTIES

• Acid pKa: 16.132864
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.4165354
• LogD (pH = 7.4): -3.832098
• Log P: -1.1905639
• Molar Refractivity: 59.884 cm^3
• Polarizability: 23.504938 Å^3
• Polar Surface Area: 75.43 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.614

Product Information

• Purity: 95%