4-oxo-4-(4-prop-2-enylpiperazin-1-yl)butanehydrazide

C11H20N4O2 — CID 2756310

IUPAC4-oxo-4-(4-prop-2-enylpiperazin-1-yl)butanehydrazide
SMILESC=CCN1CCN(C(=O)CCC(=O)NN)CC1
InChIInChI=1S/C11H20N4O2/c1-2-5-14-6-8-15(9-7-14)11(17)4-3-10(16)13-12/h2H,1,3-9,12H2,(H,13,16)
InChIKeyIFBPCEWJXQQFSH-UHFFFAOYSA-N
MW240.31 g/mol
LogP-0.91
Rot. Bonds5

About 4-oxo-4-(4-prop-2-enylpiperazin-1-yl)butanehydrazide

4-oxo-4-(4-prop-2-enylpiperazin-1-yl)butanehydrazide (PubChem CID 2756310) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-oxo-4-(4-prop-2-enylpiperazin-1-yl)butanehydrazide.

Molecular Properties

Compound Name4-oxo-4-(4-prop-2-enylpiperazin-1-yl)butanehydrazide
PubChem CID2756310
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name4-oxo-4-(4-prop-2-enylpiperazin-1-yl)butanehydrazide
SMILESC=CCN1CCN(C(=O)CCC(=O)NN)CC1
InChIInChI=1S/C11H20N4O2/c1-2-5-14-6-8-15(9-7-14)11(17)4-3-10(16)13-12/h2H,1,3-9,12H2,(H,13,16)
InChIKeyIFBPCEWJXQQFSH-UHFFFAOYSA-N
XLogP-0.91
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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'}

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(4-prop-2-enylpiperazin-1-yl)butanehydrazide?
The IUPAC name of 4-oxo-4-(4-prop-2-enylpiperazin-1-yl)butanehydrazide (CID 2756310) is 4-oxo-4-(4-prop-2-enylpiperazin-1-yl)butanehydrazide.
What is the SMILES notation for 4-oxo-4-(4-prop-2-enylpiperazin-1-yl)butanehydrazide?
The canonical SMILES for 4-oxo-4-(4-prop-2-enylpiperazin-1-yl)butanehydrazide is C=CCN1CCN(C(=O)CCC(=O)NN)CC1.
What is the InChIKey of 4-oxo-4-(4-prop-2-enylpiperazin-1-yl)butanehydrazide?
The InChIKey is IFBPCEWJXQQFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-2-5-14-6-8-15(9-7-14)11(17)4-3-10(16)13-12/h2H,1,3-9,12H2,(H,13,16).
What are the key properties of 4-oxo-4-(4-prop-2-enylpiperazin-1-yl)butanehydrazide?
4-oxo-4-(4-prop-2-enylpiperazin-1-yl)butanehydrazide has a molecular weight of 240.31 g/mol, XLogP of -0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(4-prop-2-enylpiperazin-1-yl)butanehydrazide is sourced from PubChem (CID 2756310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).