3-(4-methylpiperazin-1-yl)-3-oxopropanehydrazide

C8H16N4O2 — CID 2760036

IUPAC3-(4-methylpiperazin-1-yl)-3-oxopropanehydrazide
SMILESCN1CCN(C(=O)CC(=O)NN)CC1
InChIInChI=1S/C8H16N4O2/c1-11-2-4-12(5-3-11)8(14)6-7(13)10-9/h2-6,9H2,1H3,(H,10,13)
InChIKeyFFPUAGBEXGYAFY-UHFFFAOYSA-N
MW200.24 g/mol
LogP-1.86
Rot. Bonds2

About 3-(4-methylpiperazin-1-yl)-3-oxopropanehydrazide

3-(4-methylpiperazin-1-yl)-3-oxopropanehydrazide (PubChem CID 2760036) has the molecular formula C8H16N4O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-3-oxopropanehydrazide.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-3-oxopropanehydrazide
PubChem CID2760036
Molecular FormulaC8H16N4O2
Molecular Weight200.24 g/mol
Exact Mass200.13
IUPAC Name3-(4-methylpiperazin-1-yl)-3-oxopropanehydrazide
SMILESCN1CCN(C(=O)CC(=O)NN)CC1
InChIInChI=1S/C8H16N4O2/c1-11-2-4-12(5-3-11)8(14)6-7(13)10-9/h2-6,9H2,1H3,(H,10,13)
InChIKeyFFPUAGBEXGYAFY-UHFFFAOYSA-N
XLogP-1.86
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-1.86
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(4-Methylpiperazin-1-yl)propanehydrazide
CID 2400453
N-(4-methylpiperazin-1-yl)-3-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 84362580
1-[2-(Dimethylamino)ethyl]triazinan-4-one
CID 21441191
2-(4-acetylpiperazinyl)-N-aminoacetamide
CID 22479754
3-[4-(3-Hydrazinyl-3-oxopropyl)piperazin-1-yl]propanehydrazide
CID 23136054
3-[4-(4-Hydrazinyl-4-oxobutan-2-yl)piperazin-1-yl]butanehydrazide
CID 23136097
3-[4-(3-Hydrazinyl-3-oxopropyl)-2,5-dimethylpiperazin-1-yl]propanehydrazide
CID 23136143
3-Piperazin-1-ylpropanehydrazide
CID 63585080
N-ethyl-2-[(3-hydrazinyl-3-oxopropyl)-methylamino]acetamide
CID 63585696
3-Oxo-3-piperidin-1-ylpropanehydrazide
CID 90180639
Tert-butyl 4-(3-hydrazinyl-3-oxopropanoyl)piperazine-1-carboxylate
CID 90181726
1-(4-Aminopiperazin-1-yl)-3-hydrazinylpropan-1-one
CID 121298830

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-3-oxopropanehydrazide?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-3-oxopropanehydrazide (CID 2760036) is 3-(4-methylpiperazin-1-yl)-3-oxopropanehydrazide.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-3-oxopropanehydrazide?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-3-oxopropanehydrazide is CN1CCN(C(=O)CC(=O)NN)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-3-oxopropanehydrazide?
The InChIKey is FFPUAGBEXGYAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2/c1-11-2-4-12(5-3-11)8(14)6-7(13)10-9/h2-6,9H2,1H3,(H,10,13).
What are the key properties of 3-(4-methylpiperazin-1-yl)-3-oxopropanehydrazide?
3-(4-methylpiperazin-1-yl)-3-oxopropanehydrazide has a molecular weight of 200.24 g/mol, XLogP of -1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-3-oxopropanehydrazide is sourced from PubChem (CID 2760036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).