3-oxo-3-(4-prop-2-enylpiperazin-1-yl)propanehydrazide

C10H18N4O2 — CID 2756311

IUPAC3-oxo-3-(4-prop-2-enylpiperazin-1-yl)propanehydrazide
SMILESC=CCN1CCN(C(=O)CC(=O)NN)CC1
InChIInChI=1S/C10H18N4O2/c1-2-3-13-4-6-14(7-5-13)10(16)8-9(15)12-11/h2H,1,3-8,11H2,(H,12,15)
InChIKeyZWRAUBQWIDCIRI-UHFFFAOYSA-N
MW226.28 g/mol
LogP-1.30
Rot. Bonds4

About 3-oxo-3-(4-prop-2-enylpiperazin-1-yl)propanehydrazide

3-oxo-3-(4-prop-2-enylpiperazin-1-yl)propanehydrazide (PubChem CID 2756311) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-oxo-3-(4-prop-2-enylpiperazin-1-yl)propanehydrazide.

Molecular Properties

Compound Name3-oxo-3-(4-prop-2-enylpiperazin-1-yl)propanehydrazide
PubChem CID2756311
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name3-oxo-3-(4-prop-2-enylpiperazin-1-yl)propanehydrazide
SMILESC=CCN1CCN(C(=O)CC(=O)NN)CC1
InChIInChI=1S/C10H18N4O2/c1-2-3-13-4-6-14(7-5-13)10(16)8-9(15)12-11/h2H,1,3-8,11H2,(H,12,15)
InChIKeyZWRAUBQWIDCIRI-UHFFFAOYSA-N
XLogP-1.30
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-1.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-oxo-3-(4-prop-2-enylpiperazin-1-yl)propanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-oxo-3-(4-prop-2-enylpiperazin-1-yl)propanehydrazide?
The IUPAC name of 3-oxo-3-(4-prop-2-enylpiperazin-1-yl)propanehydrazide (CID 2756311) is 3-oxo-3-(4-prop-2-enylpiperazin-1-yl)propanehydrazide.
What is the SMILES notation for 3-oxo-3-(4-prop-2-enylpiperazin-1-yl)propanehydrazide?
The canonical SMILES for 3-oxo-3-(4-prop-2-enylpiperazin-1-yl)propanehydrazide is C=CCN1CCN(C(=O)CC(=O)NN)CC1.
What is the InChIKey of 3-oxo-3-(4-prop-2-enylpiperazin-1-yl)propanehydrazide?
The InChIKey is ZWRAUBQWIDCIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-2-3-13-4-6-14(7-5-13)10(16)8-9(15)12-11/h2H,1,3-8,11H2,(H,12,15).
What are the key properties of 3-oxo-3-(4-prop-2-enylpiperazin-1-yl)propanehydrazide?
3-oxo-3-(4-prop-2-enylpiperazin-1-yl)propanehydrazide has a molecular weight of 226.28 g/mol, XLogP of -1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-3-(4-prop-2-enylpiperazin-1-yl)propanehydrazide is sourced from PubChem (CID 2756311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).