3-methoxy-2-(3-oxopiperazin-1-yl)propanehydrazide

C8H16N4O3 — CID 103229454

IUPAC3-methoxy-2-(3-oxopiperazin-1-yl)propanehydrazide
SMILESCOCC(C(=O)NN)N1CCNC(=O)C1
InChIInChI=1S/C8H16N4O3/c1-15-5-6(8(14)11-9)12-3-2-10-7(13)4-12/h6H,2-5,9H2,1H3,(H,10,13)(H,11,14)
InChIKeyTUTURZRYXFFKAR-UHFFFAOYSA-N
MW216.24 g/mol
LogP-2.58
Rot. Bonds4

About 3-methoxy-2-(3-oxopiperazin-1-yl)propanehydrazide

3-methoxy-2-(3-oxopiperazin-1-yl)propanehydrazide (PubChem CID 103229454) has the molecular formula C8H16N4O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-methoxy-2-(3-oxopiperazin-1-yl)propanehydrazide.

Molecular Properties

Compound Name3-methoxy-2-(3-oxopiperazin-1-yl)propanehydrazide
PubChem CID103229454
Molecular FormulaC8H16N4O3
Molecular Weight216.24 g/mol
Exact Mass216.12
IUPAC Name3-methoxy-2-(3-oxopiperazin-1-yl)propanehydrazide
SMILESCOCC(C(=O)NN)N1CCNC(=O)C1
InChIInChI=1S/C8H16N4O3/c1-15-5-6(8(14)11-9)12-3-2-10-7(13)4-12/h6H,2-5,9H2,1H3,(H,10,13)(H,11,14)
InChIKeyTUTURZRYXFFKAR-UHFFFAOYSA-N
XLogP-2.58
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-2.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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-methoxy-2-piperazin-1-ylpropanehydrazide
CID 103229611
2-(4-acetylpiperazin-1-yl)-3-methoxypropanehydrazide
CID 103229435
3-methoxy-2-(4-methylpiperidin-1-yl)propanehydrazide
CID 103229441
3-methoxy-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide
CID 103229575
2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-methoxypropanehydrazide
CID 103229714
3-methoxy-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanehydrazide
CID 103229742
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-methoxypropanehydrazide
CID 103229530
3-methoxy-2-[3-(methoxymethyl)piperidin-1-yl]propanehydrazide
CID 106589687
3-methoxy-2-(2-methyl-1,4-oxazepan-4-yl)propanehydrazide
CID 103229582
4-(4-oxopentan-2-yl)piperazin-2-one
CID 64698316
ethyl 2-(diaminomethylideneamino)-2-(3-oxopiperazin-1-yl)acetate
CID 174510849
3-methoxy-2-[4-(3-methylphenyl)piperazin-1-yl]propanehydrazide
CID 103229457

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(3-oxopiperazin-1-yl)propanehydrazide?
The IUPAC name of 3-methoxy-2-(3-oxopiperazin-1-yl)propanehydrazide (CID 103229454) is 3-methoxy-2-(3-oxopiperazin-1-yl)propanehydrazide.
What is the SMILES notation for 3-methoxy-2-(3-oxopiperazin-1-yl)propanehydrazide?
The canonical SMILES for 3-methoxy-2-(3-oxopiperazin-1-yl)propanehydrazide is COCC(C(=O)NN)N1CCNC(=O)C1.
What is the InChIKey of 3-methoxy-2-(3-oxopiperazin-1-yl)propanehydrazide?
The InChIKey is TUTURZRYXFFKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O3/c1-15-5-6(8(14)11-9)12-3-2-10-7(13)4-12/h6H,2-5,9H2,1H3,(H,10,13)(H,11,14).
What are the key properties of 3-methoxy-2-(3-oxopiperazin-1-yl)propanehydrazide?
3-methoxy-2-(3-oxopiperazin-1-yl)propanehydrazide has a molecular weight of 216.24 g/mol, XLogP of -2.58, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(3-oxopiperazin-1-yl)propanehydrazide is sourced from PubChem (CID 103229454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).