2-(2-methyl-3-oxopiperazin-1-yl)acetohydrazide

C7H14N4O2 — CID 63607560

IUPAC2-(2-methyl-3-oxopiperazin-1-yl)acetohydrazide
SMILESCC1C(=O)NCCN1CC(=O)NN
InChIInChI=1S/C7H14N4O2/c1-5-7(13)9-2-3-11(5)4-6(12)10-8/h5H,2-4,8H2,1H3,(H,9,13)(H,10,12)
InChIKeyCXLQBNBRRHYKRC-UHFFFAOYSA-N
MW186.21 g/mol
LogP-2.20
Rot. Bonds2

About 2-(2-methyl-3-oxopiperazin-1-yl)acetohydrazide

2-(2-methyl-3-oxopiperazin-1-yl)acetohydrazide (PubChem CID 63607560) has the molecular formula C7H14N4O2 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-(2-methyl-3-oxopiperazin-1-yl)acetohydrazide.

Molecular Properties

Compound Name2-(2-methyl-3-oxopiperazin-1-yl)acetohydrazide
PubChem CID63607560
Molecular FormulaC7H14N4O2
Molecular Weight186.21 g/mol
Exact Mass186.11
IUPAC Name2-(2-methyl-3-oxopiperazin-1-yl)acetohydrazide
SMILESCC1C(=O)NCCN1CC(=O)NN
InChIInChI=1S/C7H14N4O2/c1-5-7(13)9-2-3-11(5)4-6(12)10-8/h5H,2-4,8H2,1H3,(H,9,13)(H,10,12)
InChIKeyCXLQBNBRRHYKRC-UHFFFAOYSA-N
XLogP-2.20
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-2.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

2-(2-methyl-3-oxopiperazin-1-yl)ethanethioamide
CID 63596493
ethyl 4-(2-methyl-3-oxopiperazin-1-yl)-3-oxobutanoate
CID 63897377
2-methyl-3-(2-methyl-3-oxopiperazin-1-yl)propanehydrazide
CID 63606023
3-methyl-4-(2-methyl-3-oxopiperazin-1-yl)but-2-enoic acid
CID 77006338
N-(3-aminophenyl)-2-(2-methyl-3-oxopiperazin-1-yl)acetamide
CID 63596455
N-(2-amino-4-methylphenyl)-2-(2-methyl-3-oxopiperazin-1-yl)acetamide
CID 63596286
3-methyl-4-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]piperazin-2-one
CID 63607695
5-methyl-4-[(2-methyl-3-oxopiperazin-1-yl)methyl]thiophene-2-carbohydrazide
CID 80733807
4-(3-aminopropyl)-3-methylpiperazin-2-one
CID 63594919
2,2-dimethyl-3-(2-methyl-3-oxopiperazin-1-yl)propanoic acid
CID 79621656
4-(2-methyl-3-oxopiperazin-1-yl)butanoic acid
CID 63606812
5-(2-ethyl-3-oxopiperazin-1-yl)pentanehydrazide
CID 63602786

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3-oxopiperazin-1-yl)acetohydrazide?
The IUPAC name of 2-(2-methyl-3-oxopiperazin-1-yl)acetohydrazide (CID 63607560) is 2-(2-methyl-3-oxopiperazin-1-yl)acetohydrazide.
What is the SMILES notation for 2-(2-methyl-3-oxopiperazin-1-yl)acetohydrazide?
The canonical SMILES for 2-(2-methyl-3-oxopiperazin-1-yl)acetohydrazide is CC1C(=O)NCCN1CC(=O)NN.
What is the InChIKey of 2-(2-methyl-3-oxopiperazin-1-yl)acetohydrazide?
The InChIKey is CXLQBNBRRHYKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2/c1-5-7(13)9-2-3-11(5)4-6(12)10-8/h5H,2-4,8H2,1H3,(H,9,13)(H,10,12).
What are the key properties of 2-(2-methyl-3-oxopiperazin-1-yl)acetohydrazide?
2-(2-methyl-3-oxopiperazin-1-yl)acetohydrazide has a molecular weight of 186.21 g/mol, XLogP of -2.20, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3-oxopiperazin-1-yl)acetohydrazide is sourced from PubChem (CID 63607560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).