5-oxo-5-(4-prop-2-enylpiperazin-1-yl)pentanehydrazide

C12H22N4O2 — CID 4740507

IUPAC5-oxo-5-(4-prop-2-enylpiperazin-1-yl)pentanehydrazide
SMILESC=CCN1CCN(C(=O)CCCC(=O)NN)CC1
InChIInChI=1S/C12H22N4O2/c1-2-6-15-7-9-16(10-8-15)12(18)5-3-4-11(17)14-13/h2H,1,3-10,13H2,(H,14,17)
InChIKeyQQFBXBLKXOWILG-UHFFFAOYSA-N
MW254.33 g/mol
LogP-0.52
Rot. Bonds6

About 5-oxo-5-(4-prop-2-enylpiperazin-1-yl)pentanehydrazide

5-oxo-5-(4-prop-2-enylpiperazin-1-yl)pentanehydrazide (PubChem CID 4740507) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 5-oxo-5-(4-prop-2-enylpiperazin-1-yl)pentanehydrazide.

Molecular Properties

Compound Name5-oxo-5-(4-prop-2-enylpiperazin-1-yl)pentanehydrazide
PubChem CID4740507
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name5-oxo-5-(4-prop-2-enylpiperazin-1-yl)pentanehydrazide
SMILESC=CCN1CCN(C(=O)CCCC(=O)NN)CC1
InChIInChI=1S/C12H22N4O2/c1-2-6-15-7-9-16(10-8-15)12(18)5-3-4-11(17)14-13/h2H,1,3-10,13H2,(H,14,17)
InChIKeyQQFBXBLKXOWILG-UHFFFAOYSA-N
XLogP-0.52
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-0.52
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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Related Compounds

4-Oxo-4-(4-prop-2-enylpiperazin-1-yl)butanehydrazide
CID 2756310
5-Oxo-5-piperazin-1-ylpentanehydrazide
CID 2760267
5-(4-Acetylpiperazin-1-yl)-5-oxopentanehydrazide
CID 4739854
5-(4-Methylpiperazin-1-yl)-5-oxopentanehydrazide
CID 4740808
5-(4-Acetylpiperazin-1-yl)pentanehydrazide
CID 55213622
1-[2-[Bis(prop-2-enyl)amino]acetyl]piperidine-4-carbohydrazide
CID 63571967

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-(4-prop-2-enylpiperazin-1-yl)pentanehydrazide?
The IUPAC name of 5-oxo-5-(4-prop-2-enylpiperazin-1-yl)pentanehydrazide (CID 4740507) is 5-oxo-5-(4-prop-2-enylpiperazin-1-yl)pentanehydrazide.
What is the SMILES notation for 5-oxo-5-(4-prop-2-enylpiperazin-1-yl)pentanehydrazide?
The canonical SMILES for 5-oxo-5-(4-prop-2-enylpiperazin-1-yl)pentanehydrazide is C=CCN1CCN(C(=O)CCCC(=O)NN)CC1.
What is the InChIKey of 5-oxo-5-(4-prop-2-enylpiperazin-1-yl)pentanehydrazide?
The InChIKey is QQFBXBLKXOWILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-2-6-15-7-9-16(10-8-15)12(18)5-3-4-11(17)14-13/h2H,1,3-10,13H2,(H,14,17).
What are the key properties of 5-oxo-5-(4-prop-2-enylpiperazin-1-yl)pentanehydrazide?
5-oxo-5-(4-prop-2-enylpiperazin-1-yl)pentanehydrazide has a molecular weight of 254.33 g/mol, XLogP of -0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-(4-prop-2-enylpiperazin-1-yl)pentanehydrazide is sourced from PubChem (CID 4740507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).