4-(2-hydrazinyl-5-nitrobenzoyl)-1-methylpiperazin-2-one

C12H15N5O4 — CID 64694171

IUPAC4-(2-hydrazinyl-5-nitrobenzoyl)-1-methylpiperazin-2-one
SMILESCN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NN)CC1=O
InChIInChI=1S/C12H15N5O4/c1-15-4-5-16(7-11(15)18)12(19)9-6-8(17(20)21)2-3-10(9)14-13/h2-3,6,14H,4-5,7,13H2,1H3
InChIKeyJKKFQDWSFDKOQB-UHFFFAOYSA-N
MW293.28 g/mol
LogP-0.21
Rot. Bonds3

About 4-(2-hydrazinyl-5-nitrobenzoyl)-1-methylpiperazin-2-one

4-(2-hydrazinyl-5-nitrobenzoyl)-1-methylpiperazin-2-one (PubChem CID 64694171) has the molecular formula C12H15N5O4 and a molecular weight of 293.28 g/mol. Its IUPAC name is 4-(2-hydrazinyl-5-nitrobenzoyl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-hydrazinyl-5-nitrobenzoyl)-1-methylpiperazin-2-one
PubChem CID64694171
Molecular FormulaC12H15N5O4
Molecular Weight293.28 g/mol
Exact Mass293.11
IUPAC Name4-(2-hydrazinyl-5-nitrobenzoyl)-1-methylpiperazin-2-one
SMILESCN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NN)CC1=O
InChIInChI=1S/C12H15N5O4/c1-15-4-5-16(7-11(15)18)12(19)9-6-8(17(20)21)2-3-10(9)14-13/h2-3,6,14H,4-5,7,13H2,1H3
InChIKeyJKKFQDWSFDKOQB-UHFFFAOYSA-N
XLogP-0.21
TPSA121.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
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'}

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Related Compounds

(2-hydrazinyl-5-nitrophenyl)-pyrrolidin-1-ylmethanone
CID 62236217
4-(3-hydrazinyl-4-nitrobenzoyl)-1-methylpiperazin-2-one
CID 64694789
4-(2-fluoro-5-nitrobenzoyl)-1-methyl-1,4-diazepan-2-one
CID 102888779
(2-hydrazinyl-5-nitrophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102971070
(2-hydrazinyl-5-nitrophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 62247895
[2-(ethylamino)-5-nitrophenyl]-(4-methylpiperazin-1-yl)methanone
CID 62171291
4-(2-amino-5-methylbenzoyl)-1-methylpiperazin-2-one
CID 64682422
[2-(ethylamino)-5-nitrophenyl]-pyrrolidin-1-ylmethanone
CID 62171436
[2-(methylamino)-5-nitrophenyl]-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 62181229
2-hydrazinyl-5-nitro-N-piperidin-1-ylbenzamide
CID 83024874
4-(3-fluoro-4-nitrobenzoyl)-1-methylpiperazin-2-one
CID 64680099
[2-(methylamino)-5-nitrophenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 18104774

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydrazinyl-5-nitrobenzoyl)-1-methylpiperazin-2-one?
The IUPAC name of 4-(2-hydrazinyl-5-nitrobenzoyl)-1-methylpiperazin-2-one (CID 64694171) is 4-(2-hydrazinyl-5-nitrobenzoyl)-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(2-hydrazinyl-5-nitrobenzoyl)-1-methylpiperazin-2-one?
The canonical SMILES for 4-(2-hydrazinyl-5-nitrobenzoyl)-1-methylpiperazin-2-one is CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NN)CC1=O.
What is the InChIKey of 4-(2-hydrazinyl-5-nitrobenzoyl)-1-methylpiperazin-2-one?
The InChIKey is JKKFQDWSFDKOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O4/c1-15-4-5-16(7-11(15)18)12(19)9-6-8(17(20)21)2-3-10(9)14-13/h2-3,6,14H,4-5,7,13H2,1H3.
What are the key properties of 4-(2-hydrazinyl-5-nitrobenzoyl)-1-methylpiperazin-2-one?
4-(2-hydrazinyl-5-nitrobenzoyl)-1-methylpiperazin-2-one has a molecular weight of 293.28 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydrazinyl-5-nitrobenzoyl)-1-methylpiperazin-2-one is sourced from PubChem (CID 64694171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).