N-(4-methyl-3-nitrophenyl)-2-oxo-2-piperazin-1-ylacetamide

C13H16N4O4 — CID 43145018

IUPACN-(4-methyl-3-nitrophenyl)-2-oxo-2-piperazin-1-ylacetamide
SMILESCc1ccc(NC(=O)C(=O)N2CCNCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H16N4O4/c1-9-2-3-10(8-11(9)17(20)21)15-12(18)13(19)16-6-4-14-5-7-16/h2-3,8,14H,4-7H2,1H3,(H,15,18)
InChIKeyDMHJARMBXGKMLR-UHFFFAOYSA-N
MW292.29 g/mol
LogP0.27
Rot. Bonds2

About N-(4-methyl-3-nitrophenyl)-2-oxo-2-piperazin-1-ylacetamide

N-(4-methyl-3-nitrophenyl)-2-oxo-2-piperazin-1-ylacetamide (PubChem CID 43145018) has the molecular formula C13H16N4O4 and a molecular weight of 292.29 g/mol. Its IUPAC name is N-(4-methyl-3-nitrophenyl)-2-oxo-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-(4-methyl-3-nitrophenyl)-2-oxo-2-piperazin-1-ylacetamide
PubChem CID43145018
Molecular FormulaC13H16N4O4
Molecular Weight292.29 g/mol
Exact Mass292.12
IUPAC NameN-(4-methyl-3-nitrophenyl)-2-oxo-2-piperazin-1-ylacetamide
SMILESCc1ccc(NC(=O)C(=O)N2CCNCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H16N4O4/c1-9-2-3-10(8-11(9)17(20)21)15-12(18)13(19)16-6-4-14-5-7-16/h2-3,8,14H,4-7H2,1H3,(H,15,18)
InChIKeyDMHJARMBXGKMLR-UHFFFAOYSA-N
XLogP0.27
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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

N-[3-(dimethylamino)-4-methylphenyl]-2-oxo-2-piperazin-1-ylacetamide
CID 115378763
2-(1,4-diazepan-1-yl)-N-(4-methylphenyl)-2-oxoacetamide
CID 43327555
N-(3,5-dichloro-4-methylphenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 23555753
N-(4-bromo-3-chlorophenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 107614812
N-(4-methyl-3-nitrophenyl)-3-piperidin-4-ylbutanamide
CID 119670842
N-(2,4-dimethylphenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 28507375
5-[(4-methyl-3-nitrophenyl)carbamoyl]thiophene-2-carboxylic acid
CID 43414575
5-methyl-N-(4-methyl-3-nitrophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670814
2-methyl-N-(4-methyl-3-nitrophenyl)pyrrolidine-3-carboxamide
CID 79382754
3-methyl-N-(4-methyl-3-nitrophenyl)pyrrolidine-2-carboxamide
CID 102777058
5-methyl-1-[(4-methyl-3-nitrophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122101780
4-[(1S,2R)-2-hydroxycyclopentyl]-N-(4-methyl-3-nitrophenyl)piperazine-1-carboxamide
CID 95151678

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-nitrophenyl)-2-oxo-2-piperazin-1-ylacetamide?
The IUPAC name of N-(4-methyl-3-nitrophenyl)-2-oxo-2-piperazin-1-ylacetamide (CID 43145018) is N-(4-methyl-3-nitrophenyl)-2-oxo-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-(4-methyl-3-nitrophenyl)-2-oxo-2-piperazin-1-ylacetamide?
The canonical SMILES for N-(4-methyl-3-nitrophenyl)-2-oxo-2-piperazin-1-ylacetamide is Cc1ccc(NC(=O)C(=O)N2CCNCC2)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-methyl-3-nitrophenyl)-2-oxo-2-piperazin-1-ylacetamide?
The InChIKey is DMHJARMBXGKMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4/c1-9-2-3-10(8-11(9)17(20)21)15-12(18)13(19)16-6-4-14-5-7-16/h2-3,8,14H,4-7H2,1H3,(H,15,18).
What are the key properties of N-(4-methyl-3-nitrophenyl)-2-oxo-2-piperazin-1-ylacetamide?
N-(4-methyl-3-nitrophenyl)-2-oxo-2-piperazin-1-ylacetamide has a molecular weight of 292.29 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-nitrophenyl)-2-oxo-2-piperazin-1-ylacetamide is sourced from PubChem (CID 43145018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).