4-(3-hydrazinyl-4-nitrobenzoyl)piperazin-2-one

C11H13N5O4 — CID 62681618

IUPAC4-(3-hydrazinyl-4-nitrobenzoyl)piperazin-2-one
SMILESNNc1cc(C(=O)N2CCNC(=O)C2)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H13N5O4/c12-14-8-5-7(1-2-9(8)16(19)20)11(18)15-4-3-13-10(17)6-15/h1-2,5,14H,3-4,6,12H2,(H,13,17)
InChIKeyULMATPMHYHTOOD-UHFFFAOYSA-N
MW279.26 g/mol
LogP-0.55
Rot. Bonds3

About 4-(3-hydrazinyl-4-nitrobenzoyl)piperazin-2-one

4-(3-hydrazinyl-4-nitrobenzoyl)piperazin-2-one (PubChem CID 62681618) has the molecular formula C11H13N5O4 and a molecular weight of 279.26 g/mol. Its IUPAC name is 4-(3-hydrazinyl-4-nitrobenzoyl)piperazin-2-one.

Molecular Properties

Compound Name4-(3-hydrazinyl-4-nitrobenzoyl)piperazin-2-one
PubChem CID62681618
Molecular FormulaC11H13N5O4
Molecular Weight279.26 g/mol
Exact Mass279.10
IUPAC Name4-(3-hydrazinyl-4-nitrobenzoyl)piperazin-2-one
SMILESNNc1cc(C(=O)N2CCNC(=O)C2)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H13N5O4/c12-14-8-5-7(1-2-9(8)16(19)20)11(18)15-4-3-13-10(17)6-15/h1-2,5,14H,3-4,6,12H2,(H,13,17)
InChIKeyULMATPMHYHTOOD-UHFFFAOYSA-N
XLogP-0.55
TPSA130.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(3-hydrazinyl-4-nitrobenzoyl)piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-fluoro-3-nitrobenzoyl)piperazin-2-one
CID 43215729
4-(3-hydrazinyl-4-nitrobenzoyl)-1-methylpiperazin-2-one
CID 64694789
4-(3-methoxy-4-nitrobenzoyl)piperazin-2-one
CID 115602215
4-(3-nitro-4-piperidin-1-ylbenzoyl)piperazin-2-one
CID 4883131
4-(4-hydrazinylbenzoyl)piperazin-2-one
CID 62241624
(3,4-dimethylpyrrolidin-1-yl)-(3-hydrazinyl-4-nitrophenyl)methanone
CID 79187045
4-(4-methyl-3-nitrobenzoyl)-1,4-diazepan-2-one
CID 62896484
4-(2,6-difluoro-3-nitrobenzoyl)piperazin-2-one
CID 79772708
(3-hydrazinyl-4-nitrophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 62681422
1-(4-bromo-3-nitrobenzoyl)-1,4-diazepan-5-one
CID 63002450
4-(4-aminobenzoyl)piperazin-2-one;hydrochloride
CID 119681651
(2-ethylpyrrolidin-1-yl)-(3-hydrazinyl-4-nitrophenyl)methanone
CID 62681247

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydrazinyl-4-nitrobenzoyl)piperazin-2-one?
The IUPAC name of 4-(3-hydrazinyl-4-nitrobenzoyl)piperazin-2-one (CID 62681618) is 4-(3-hydrazinyl-4-nitrobenzoyl)piperazin-2-one.
What is the SMILES notation for 4-(3-hydrazinyl-4-nitrobenzoyl)piperazin-2-one?
The canonical SMILES for 4-(3-hydrazinyl-4-nitrobenzoyl)piperazin-2-one is NNc1cc(C(=O)N2CCNC(=O)C2)ccc1[N+](=O)[O-].
What is the InChIKey of 4-(3-hydrazinyl-4-nitrobenzoyl)piperazin-2-one?
The InChIKey is ULMATPMHYHTOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O4/c12-14-8-5-7(1-2-9(8)16(19)20)11(18)15-4-3-13-10(17)6-15/h1-2,5,14H,3-4,6,12H2,(H,13,17).
What are the key properties of 4-(3-hydrazinyl-4-nitrobenzoyl)piperazin-2-one?
4-(3-hydrazinyl-4-nitrobenzoyl)piperazin-2-one has a molecular weight of 279.26 g/mol, XLogP of -0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydrazinyl-4-nitrobenzoyl)piperazin-2-one is sourced from PubChem (CID 62681618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).