4-(4-hydrazinylbenzoyl)piperazine-2,6-dione

C11H12N4O3 — CID 66061853

IUPAC4-(4-hydrazinylbenzoyl)piperazine-2,6-dione
SMILESNNc1ccc(C(=O)N2CC(=O)NC(=O)C2)cc1
InChIInChI=1S/C11H12N4O3/c12-14-8-3-1-7(2-4-8)11(18)15-5-9(16)13-10(17)6-15/h1-4,14H,5-6,12H2,(H,13,16,17)
InChIKeyYOLCXLXLBSNEND-UHFFFAOYSA-N
MW248.24 g/mol
LogP-0.93
Rot. Bonds2

About 4-(4-hydrazinylbenzoyl)piperazine-2,6-dione

4-(4-hydrazinylbenzoyl)piperazine-2,6-dione (PubChem CID 66061853) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is 4-(4-hydrazinylbenzoyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(4-hydrazinylbenzoyl)piperazine-2,6-dione
PubChem CID66061853
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name4-(4-hydrazinylbenzoyl)piperazine-2,6-dione
SMILESNNc1ccc(C(=O)N2CC(=O)NC(=O)C2)cc1
InChIInChI=1S/C11H12N4O3/c12-14-8-3-1-7(2-4-8)11(18)15-5-9(16)13-10(17)6-15/h1-4,14H,5-6,12H2,(H,13,16,17)
InChIKeyYOLCXLXLBSNEND-UHFFFAOYSA-N
XLogP-0.93
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 5-0.93
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

4-(4-hydrazinylbenzoyl)piperazin-2-one
CID 62241624
4-(6-hydrazinylpyridine-3-carbonyl)piperazine-2,6-dione
CID 66061854
4-(3,5-dioxopiperazine-1-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 77111806
4-[4-(hydroxymethyl)benzoyl]piperazine-2,6-dione
CID 66083005
azepan-1-yl-(4-hydrazinylphenyl)methanone
CID 62249723
4-[4-(dimethylamino)benzoyl]piperazine-2,6-dione
CID 66084706
N-[[4-(3,5-dioxopiperazine-1-carbonyl)phenyl]methyl]acetamide
CID 66084325
4-(6-oxopyran-3-carbonyl)piperazine-2,6-dione
CID 66084335
4-[4-(trifluoromethoxy)benzoyl]piperazine-2,6-dione
CID 66084388
4-[4-(trifluoromethylsulfanyl)benzoyl]piperazine-2,6-dione
CID 66083933
4-(4-propan-2-yloxybenzoyl)piperazine-2,6-dione
CID 66085905
4-(furan-3-carbonyl)piperazine-2,6-dione
CID 66083593

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydrazinylbenzoyl)piperazine-2,6-dione?
The IUPAC name of 4-(4-hydrazinylbenzoyl)piperazine-2,6-dione (CID 66061853) is 4-(4-hydrazinylbenzoyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(4-hydrazinylbenzoyl)piperazine-2,6-dione?
The canonical SMILES for 4-(4-hydrazinylbenzoyl)piperazine-2,6-dione is NNc1ccc(C(=O)N2CC(=O)NC(=O)C2)cc1.
What is the InChIKey of 4-(4-hydrazinylbenzoyl)piperazine-2,6-dione?
The InChIKey is YOLCXLXLBSNEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c12-14-8-3-1-7(2-4-8)11(18)15-5-9(16)13-10(17)6-15/h1-4,14H,5-6,12H2,(H,13,16,17).
What are the key properties of 4-(4-hydrazinylbenzoyl)piperazine-2,6-dione?
4-(4-hydrazinylbenzoyl)piperazine-2,6-dione has a molecular weight of 248.24 g/mol, XLogP of -0.93, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydrazinylbenzoyl)piperazine-2,6-dione is sourced from PubChem (CID 66061853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).