1-(piperazin-1-yl)cyclopentane-1-carboxamide

• ChemBase ID: 272157
• Molecular Formular: C10H19N3O
• Molecular Mass: 197.27736
• Monoisotopic Mass: 197.15281224
• SMILES: C1(N2CCNCC2)(C(=O)N)CCCC1
• Canonical SMILES: NC(=O)C1(CCCC1)N1CCNCC1
• InChI: InChI=1S/C10H19N3O/c11-9(14)10(3-1-2-4-10)13-7-5-12-6-8-13/h12H,1-8H2,(H2,11,14)
• InChIKey: UPCXECJVRKDQSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperazin-1-yl)cyclopentane-1-carboxamide
• IUPAC Traditional name: 1-(piperazin-1-yl)cyclopentane-1-carboxamide
• Synonyms: 1-(piperazin-1-yl)cyclopentane-1-carboxamide

Database IDs

• MDL Number: MFCD12775165
• PubChem SID: 164328067
• PubChem CID: 50989580

CALCULATED PROPERTIES

• Acid pKa: 16.356281
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.2080455
• LogD (pH = 7.4): -1.6975574
• Log P: -0.09186918
• Molar Refractivity: 55.1033 cm^3
• Polarizability: 21.952879 Å^3
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 138 - 140°C
• Hydrophobicity(logP): 0.048

Product Information

• Purity: 95%