N-cyclopentyl-2-(piperazin-1-yl)propanamide

• ChemBase ID: 270421
• Molecular Formular: C12H23N3O
• Molecular Mass: 225.33052
• Monoisotopic Mass: 225.18411237
• SMILES: C(=O)(NC1CCCC1)C(N1CCNCC1)C
• Canonical SMILES: O=C(C(N1CCNCC1)C)NC1CCCC1
• InChI: InChI=1S/C12H23N3O/c1-10(15-8-6-13-7-9-15)12(16)14-11-4-2-3-5-11/h10-11,13H,2-9H2,1H3,(H,14,16)
• InChIKey: FVWRDFSLDIZCDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-2-(piperazin-1-yl)propanamide
• IUPAC Traditional name: N-cyclopentyl-2-(piperazin-1-yl)propanamide
• Synonyms: N-cyclopentyl-2-(piperazin-1-yl)propanamide

Database IDs

• MDL Number: MFCD10011188
• PubChem SID: 164326331
• PubChem CID: 43089568

CALCULATED PROPERTIES

• Acid pKa: 15.816437
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.5566683
• LogD (pH = 7.4): -1.053891
• Log P: 0.47242397
• Molar Refractivity: 64.4541 cm^3
• Polarizability: 25.634712 Å^3
• Polar Surface Area: 44.37 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.813

Product Information

• Purity: 95%