4-(2-hydrazinyl-5-methylbenzoyl)piperazine-2,6-dione

C12H14N4O3 — CID 66062632

IUPAC4-(2-hydrazinyl-5-methylbenzoyl)piperazine-2,6-dione
SMILESCc1ccc(NN)c(C(=O)N2CC(=O)NC(=O)C2)c1
InChIInChI=1S/C12H14N4O3/c1-7-2-3-9(15-13)8(4-7)12(19)16-5-10(17)14-11(18)6-16/h2-4,15H,5-6,13H2,1H3,(H,14,17,18)
InChIKeyZVORPHNYVDSIBD-UHFFFAOYSA-N
MW262.27 g/mol
LogP-0.62
Rot. Bonds2

About 4-(2-hydrazinyl-5-methylbenzoyl)piperazine-2,6-dione

4-(2-hydrazinyl-5-methylbenzoyl)piperazine-2,6-dione (PubChem CID 66062632) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 4-(2-hydrazinyl-5-methylbenzoyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(2-hydrazinyl-5-methylbenzoyl)piperazine-2,6-dione
PubChem CID66062632
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name4-(2-hydrazinyl-5-methylbenzoyl)piperazine-2,6-dione
SMILESCc1ccc(NN)c(C(=O)N2CC(=O)NC(=O)C2)c1
InChIInChI=1S/C12H14N4O3/c1-7-2-3-9(15-13)8(4-7)12(19)16-5-10(17)14-11(18)6-16/h2-4,15H,5-6,13H2,1H3,(H,14,17,18)
InChIKeyZVORPHNYVDSIBD-UHFFFAOYSA-N
XLogP-0.62
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-4-(2-hydrazinyl-5-methylbenzoyl)piperazine-2,6-dione
CID 66067067
(2-hydrazinyl-5-methylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103358333
4-(3-hydrazinylpyridine-4-carbonyl)piperazine-2,6-dione
CID 105072287
(2-hydrazinyl-5-methylphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107408587
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-hydrazinyl-5-methylphenyl)methanone
CID 64574914
(4-ethyl-3-methylpiperazin-1-yl)-(2-hydrazinyl-5-methylphenyl)methanone
CID 63603579
4-(4-hydrazinylbenzoyl)piperazine-2,6-dione
CID 66061853
4-(6-hydrazinylpyridazine-3-carbonyl)piperazine-2,6-dione
CID 66062825
4-(2,5-dimethylbenzoyl)piperazin-2-one
CID 31096061
4-(6-hydrazinylpyridine-3-carbonyl)piperazine-2,6-dione
CID 66061854
4-(2-amino-5-methylbenzoyl)piperazin-2-one
CID 62510710
4-(2-bromo-3-methylbenzoyl)piperazine-2,6-dione
CID 107982552

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydrazinyl-5-methylbenzoyl)piperazine-2,6-dione?
The IUPAC name of 4-(2-hydrazinyl-5-methylbenzoyl)piperazine-2,6-dione (CID 66062632) is 4-(2-hydrazinyl-5-methylbenzoyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(2-hydrazinyl-5-methylbenzoyl)piperazine-2,6-dione?
The canonical SMILES for 4-(2-hydrazinyl-5-methylbenzoyl)piperazine-2,6-dione is Cc1ccc(NN)c(C(=O)N2CC(=O)NC(=O)C2)c1.
What is the InChIKey of 4-(2-hydrazinyl-5-methylbenzoyl)piperazine-2,6-dione?
The InChIKey is ZVORPHNYVDSIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-7-2-3-9(15-13)8(4-7)12(19)16-5-10(17)14-11(18)6-16/h2-4,15H,5-6,13H2,1H3,(H,14,17,18).
What are the key properties of 4-(2-hydrazinyl-5-methylbenzoyl)piperazine-2,6-dione?
4-(2-hydrazinyl-5-methylbenzoyl)piperazine-2,6-dione has a molecular weight of 262.27 g/mol, XLogP of -0.62, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydrazinyl-5-methylbenzoyl)piperazine-2,6-dione is sourced from PubChem (CID 66062632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).