2-(2,5-dimethylpiperazin-1-yl)-N-(2-nitrophenyl)acetamide

C14H20N4O3 — CID 64980475

IUPAC2-(2,5-dimethylpiperazin-1-yl)-N-(2-nitrophenyl)acetamide
SMILESCC1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C(C)CN1
InChIInChI=1S/C14H20N4O3/c1-10-8-17(11(2)7-15-10)9-14(19)16-12-5-3-4-6-13(12)18(20)21/h3-6,10-11,15H,7-9H2,1-2H3,(H,16,19)
InChIKeyLXWZMXYRBIAYBA-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.22
Rot. Bonds4

About 2-(2,5-dimethylpiperazin-1-yl)-N-(2-nitrophenyl)acetamide

2-(2,5-dimethylpiperazin-1-yl)-N-(2-nitrophenyl)acetamide (PubChem CID 64980475) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-(2,5-dimethylpiperazin-1-yl)-N-(2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylpiperazin-1-yl)-N-(2-nitrophenyl)acetamide
PubChem CID64980475
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name2-(2,5-dimethylpiperazin-1-yl)-N-(2-nitrophenyl)acetamide
SMILESCC1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C(C)CN1
InChIInChI=1S/C14H20N4O3/c1-10-8-17(11(2)7-15-10)9-14(19)16-12-5-3-4-6-13(12)18(20)21/h3-6,10-11,15H,7-9H2,1-2H3,(H,16,19)
InChIKeyLXWZMXYRBIAYBA-UHFFFAOYSA-N
XLogP1.22
TPSA87.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2S)-2-methylpiperazin-1-yl]-N-(2-nitrophenyl)acetamide
CID 82713934
2-(2,5-dimethylpiperazin-1-yl)-N-(2-iodophenyl)acetamide
CID 64980495
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
2-(2,5-dimethylpiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 64980300
N-(4-bromophenyl)-2-(2,5-dimethylpiperazin-1-yl)acetamide
CID 64980676
2-(4-ethylpiperazin-1-yl)-N-(2-nitrophenyl)acetamide
CID 22199010
2-(4-hydroxypiperidin-1-yl)-N-(2-nitrophenyl)acetamide
CID 31480734
N-(2-nitrophenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide
CID 47055862
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide
CID 120870399
2-(2,5-dimethylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 64980832
2-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-(2-nitrophenyl)acetamide
CID 75396640
1-[2-(2-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 2919057

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpiperazin-1-yl)-N-(2-nitrophenyl)acetamide?
The IUPAC name of 2-(2,5-dimethylpiperazin-1-yl)-N-(2-nitrophenyl)acetamide (CID 64980475) is 2-(2,5-dimethylpiperazin-1-yl)-N-(2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2,5-dimethylpiperazin-1-yl)-N-(2-nitrophenyl)acetamide?
The canonical SMILES for 2-(2,5-dimethylpiperazin-1-yl)-N-(2-nitrophenyl)acetamide is CC1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C(C)CN1.
What is the InChIKey of 2-(2,5-dimethylpiperazin-1-yl)-N-(2-nitrophenyl)acetamide?
The InChIKey is LXWZMXYRBIAYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-10-8-17(11(2)7-15-10)9-14(19)16-12-5-3-4-6-13(12)18(20)21/h3-6,10-11,15H,7-9H2,1-2H3,(H,16,19).
What are the key properties of 2-(2,5-dimethylpiperazin-1-yl)-N-(2-nitrophenyl)acetamide?
2-(2,5-dimethylpiperazin-1-yl)-N-(2-nitrophenyl)acetamide has a molecular weight of 292.34 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpiperazin-1-yl)-N-(2-nitrophenyl)acetamide is sourced from PubChem (CID 64980475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).