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

• ChemBase ID: 252759
• Molecular Formular: C10H19N3O
• Molecular Mass: 197.27736
• Monoisotopic Mass: 197.15281224
• SMILES: C(=O)(NC1CC1)C(N1CCNCC1)C
• Canonical SMILES: CC(C(=O)NC1CC1)N1CCNCC1
• InChI: InChI=1S/C10H19N3O/c1-8(10(14)12-9-2-3-9)13-6-4-11-5-7-13/h8-9,11H,2-7H2,1H3,(H,12,14)
• InChIKey: LNIKQZSKGDWGHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08691122
• PubChem SID: 164308669
• PubChem CID: 16227404

CALCULATED PROPERTIES

• Acid pKa: 15.72895
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.4538603
• LogD (pH = 7.4): -1.9499291
• Log P: -0.41671336
• Molar Refractivity: 55.2521 cm^3
• Polarizability: 21.952879 Å^3
• Polar Surface Area: 44.37 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.305

Product Information

• Purity: 95%