4-(3-hydrazinyl-4-nitrobenzoyl)-1-methylpiperazin-2-one

C12H15N5O4 — CID 64694789

IUPAC4-(3-hydrazinyl-4-nitrobenzoyl)-1-methylpiperazin-2-one
SMILESCN1CCN(C(=O)c2ccc([N+](=O)[O-])c(NN)c2)CC1=O
InChIInChI=1S/C12H15N5O4/c1-15-4-5-16(7-11(15)18)12(19)8-2-3-10(17(20)21)9(6-8)14-13/h2-3,6,14H,4-5,7,13H2,1H3
InChIKeyBKXUHODEPIXYFQ-UHFFFAOYSA-N
MW293.28 g/mol
LogP-0.21
Rot. Bonds3

About 4-(3-hydrazinyl-4-nitrobenzoyl)-1-methylpiperazin-2-one

4-(3-hydrazinyl-4-nitrobenzoyl)-1-methylpiperazin-2-one (PubChem CID 64694789) has the molecular formula C12H15N5O4 and a molecular weight of 293.28 g/mol. Its IUPAC name is 4-(3-hydrazinyl-4-nitrobenzoyl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(3-hydrazinyl-4-nitrobenzoyl)-1-methylpiperazin-2-one
PubChem CID64694789
Molecular FormulaC12H15N5O4
Molecular Weight293.28 g/mol
Exact Mass293.11
IUPAC Name4-(3-hydrazinyl-4-nitrobenzoyl)-1-methylpiperazin-2-one
SMILESCN1CCN(C(=O)c2ccc([N+](=O)[O-])c(NN)c2)CC1=O
InChIInChI=1S/C12H15N5O4/c1-15-4-5-16(7-11(15)18)12(19)8-2-3-10(17(20)21)9(6-8)14-13/h2-3,6,14H,4-5,7,13H2,1H3
InChIKeyBKXUHODEPIXYFQ-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

4-(3-fluoro-4-nitrobenzoyl)-1-methylpiperazin-2-one
CID 64680099
4-(3-hydrazinyl-4-nitrobenzoyl)piperazin-2-one
CID 62681618
4-(2-hydrazinyl-5-nitrobenzoyl)-1-methylpiperazin-2-one
CID 64694171
(3,4-dimethylpyrrolidin-1-yl)-(3-hydrazinyl-4-nitrophenyl)methanone
CID 79187045
(2-ethylpyrrolidin-1-yl)-(3-hydrazinyl-4-nitrophenyl)methanone
CID 62681247
(3-hydrazinyl-4-nitrophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 62681422
4-[4-(dimethylamino)benzoyl]-1-methylpiperazin-2-one
CID 110741167
(3,4-dinitrophenyl)-(4-methylpiperazin-1-yl)methanone
CID 59139090
4-(4-fluoro-3-methylbenzoyl)-1-methylpiperazin-2-one
CID 64679893
4-(4-amino-3-methoxybenzoyl)-1-methylpiperazin-2-one
CID 104782996
4-[3-(3-aminoprop-1-ynyl)-4-methylbenzoyl]-1-methylpiperazin-2-one
CID 81460455
4-(2-hydrazinylpyridine-4-carbonyl)-1-methyl-1,4-diazepan-2-one
CID 102892680

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydrazinyl-4-nitrobenzoyl)-1-methylpiperazin-2-one?
The IUPAC name of 4-(3-hydrazinyl-4-nitrobenzoyl)-1-methylpiperazin-2-one (CID 64694789) is 4-(3-hydrazinyl-4-nitrobenzoyl)-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(3-hydrazinyl-4-nitrobenzoyl)-1-methylpiperazin-2-one?
The canonical SMILES for 4-(3-hydrazinyl-4-nitrobenzoyl)-1-methylpiperazin-2-one is CN1CCN(C(=O)c2ccc([N+](=O)[O-])c(NN)c2)CC1=O.
What is the InChIKey of 4-(3-hydrazinyl-4-nitrobenzoyl)-1-methylpiperazin-2-one?
The InChIKey is BKXUHODEPIXYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O4/c1-15-4-5-16(7-11(15)18)12(19)8-2-3-10(17(20)21)9(6-8)14-13/h2-3,6,14H,4-5,7,13H2,1H3.
What are the key properties of 4-(3-hydrazinyl-4-nitrobenzoyl)-1-methylpiperazin-2-one?
4-(3-hydrazinyl-4-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-(3-hydrazinyl-4-nitrobenzoyl)-1-methylpiperazin-2-one is sourced from PubChem (CID 64694789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).