4-(3,5-dioxopiperazine-1-carbonyl)-N'-hydroxybenzenecarboximidamide

C12H12N4O4 — CID 77111806

IUPAC4-(3,5-dioxopiperazine-1-carbonyl)-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(C(=O)N2CC(=O)NC(=O)C2)cc1
InChIInChI=1S/C12H12N4O4/c13-11(15-20)7-1-3-8(4-2-7)12(19)16-5-9(17)14-10(18)6-16/h1-4,20H,5-6H2,(H2,13,15)(H,14,17,18)
InChIKeyAUEMHIDDCYZEEX-UHFFFAOYSA-N
MW276.25 g/mol
LogP-1.12
Rot. Bonds2

About 4-(3,5-dioxopiperazine-1-carbonyl)-N'-hydroxybenzenecarboximidamide

4-(3,5-dioxopiperazine-1-carbonyl)-N'-hydroxybenzenecarboximidamide (PubChem CID 77111806) has the molecular formula C12H12N4O4 and a molecular weight of 276.25 g/mol. Its IUPAC name is 4-(3,5-dioxopiperazine-1-carbonyl)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(3,5-dioxopiperazine-1-carbonyl)-N'-hydroxybenzenecarboximidamide
PubChem CID77111806
Molecular FormulaC12H12N4O4
Molecular Weight276.25 g/mol
Exact Mass276.09
IUPAC Name4-(3,5-dioxopiperazine-1-carbonyl)-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(C(=O)N2CC(=O)NC(=O)C2)cc1
InChIInChI=1S/C12H12N4O4/c13-11(15-20)7-1-3-8(4-2-7)12(19)16-5-9(17)14-10(18)6-16/h1-4,20H,5-6H2,(H2,13,15)(H,14,17,18)
InChIKeyAUEMHIDDCYZEEX-UHFFFAOYSA-N
XLogP-1.12
TPSA125.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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)piperazine-2,6-dione
CID 66061853
4-[4-(hydroxymethyl)benzoyl]piperazine-2,6-dione
CID 66083005
4-[4-(dimethylamino)benzoyl]piperazine-2,6-dione
CID 66084706
4-(furan-3-carbonyl)piperazine-2,6-dione
CID 66083593
4-(4-ethylpiperazine-1-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 43333210
4-(2,3-dihydro-1H-isoindole-5-carbonyl)piperazine-2,6-dione
CID 103999097
4-(6-oxopyran-3-carbonyl)piperazine-2,6-dione
CID 66084335
4-(4-propan-2-yloxybenzoyl)piperazine-2,6-dione
CID 66085905
4-[4-(trifluoromethylsulfanyl)benzoyl]piperazine-2,6-dione
CID 66083933
N'-hydroxy-4-(3,4,5-trimethylpiperazine-1-carbonyl)benzenecarboximidamide
CID 114539189
4-[4-(trifluoromethoxy)benzoyl]piperazine-2,6-dione
CID 66084388
4-(4-pyrazol-1-ylbenzoyl)piperazine-2,6-dione
CID 66083192

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dioxopiperazine-1-carbonyl)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-(3,5-dioxopiperazine-1-carbonyl)-N'-hydroxybenzenecarboximidamide (CID 77111806) is 4-(3,5-dioxopiperazine-1-carbonyl)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-(3,5-dioxopiperazine-1-carbonyl)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-(3,5-dioxopiperazine-1-carbonyl)-N'-hydroxybenzenecarboximidamide is NC(=NO)c1ccc(C(=O)N2CC(=O)NC(=O)C2)cc1.
What is the InChIKey of 4-(3,5-dioxopiperazine-1-carbonyl)-N'-hydroxybenzenecarboximidamide?
The InChIKey is AUEMHIDDCYZEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O4/c13-11(15-20)7-1-3-8(4-2-7)12(19)16-5-9(17)14-10(18)6-16/h1-4,20H,5-6H2,(H2,13,15)(H,14,17,18).
What are the key properties of 4-(3,5-dioxopiperazine-1-carbonyl)-N'-hydroxybenzenecarboximidamide?
4-(3,5-dioxopiperazine-1-carbonyl)-N'-hydroxybenzenecarboximidamide has a molecular weight of 276.25 g/mol, XLogP of -1.12, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dioxopiperazine-1-carbonyl)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 77111806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).