3-(piperazin-1-yl)propanamide

• ChemBase ID: 306708
• Molecular Formular: C7H15N3O
• Molecular Mass: 157.2135
• Monoisotopic Mass: 157.12151212
• SMILES: C(=O)(CCN1CCNCC1)N
• Canonical SMILES: NC(=O)CCN1CCNCC1
• InChI: InChI=1S/C7H15N3O/c8-7(11)1-4-10-5-2-9-3-6-10/h9H,1-6H2,(H2,8,11)
• InChIKey: VVWMANLRLRFZIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(piperazin-1-yl)propanamide
• IUPAC Traditional name: 3-(piperazin-1-yl)propanamide
• Synonyms: 3-piperazin-1-ylpropanamide

Database IDs

• MDL Number: MFCD04107841

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.7985864
• LogD (pH = 7.4): -3.442537
• Log P: -1.4377055
• Molar Refractivity: 43.3497 cm^3
• Polarizability: 17.160337 Å^3
• Polar Surface Area: 58.36 Å^2