2-[4-(2-methylphenyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide

C19H22N4O3 — CID 8726302

IUPAC2-[4-(2-methylphenyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide
SMILESCc1ccccc1N1CCN(CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C19H22N4O3/c1-15-5-2-3-8-18(15)22-11-9-21(10-12-22)14-19(24)20-16-6-4-7-17(13-16)23(25)26/h2-8,13H,9-12,14H2,1H3,(H,20,24)
InChIKeyFIVKKUCJLOUJBK-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.66
Rot. Bonds5

About 2-[4-(2-methylphenyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide

2-[4-(2-methylphenyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide (PubChem CID 8726302) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-[4-(2-methylphenyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-methylphenyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide
PubChem CID8726302
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name2-[4-(2-methylphenyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide
SMILESCc1ccccc1N1CCN(CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C19H22N4O3/c1-15-5-2-3-8-18(15)22-11-9-21(10-12-22)14-19(24)20-16-6-4-7-17(13-16)23(25)26/h2-8,13H,9-12,14H2,1H3,(H,20,24)
InChIKeyFIVKKUCJLOUJBK-UHFFFAOYSA-N
XLogP2.66
TPSA78.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
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-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide
CID 8591338
2-[4-[2-(3-nitroanilino)-2-oxoethyl]piperazin-1-yl]-N-(3-nitrophenyl)acetamide;hydrochloride
CID 175654144
4-(2-methylphenyl)-N-(3-nitrophenyl)piperazine-1-carboxamide
CID 31771873
N-(2-methoxy-5-nitrophenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 8726259
N-(3-nitrophenyl)-2-piperidin-1-ylacetamide
CID 687323
N-(3-nitrophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8542989
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methyl-5-nitrophenyl)acetamide
CID 8582945
N-(3,4-dichlorophenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 8725978
2-(4-benzyl-1,4-diazepan-1-yl)-N-(3-nitrophenyl)acetamide
CID 16608517
4-[[2-[4-(2-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 8726217
N-(2-fluorophenyl)-2-[4-(2-methyl-4-nitrophenyl)piperazin-1-yl]acetamide
CID 133417299
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide
CID 10406576

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylphenyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide?
The IUPAC name of 2-[4-(2-methylphenyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide (CID 8726302) is 2-[4-(2-methylphenyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide.
What is the SMILES notation for 2-[4-(2-methylphenyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide?
The canonical SMILES for 2-[4-(2-methylphenyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide is Cc1ccccc1N1CCN(CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1.
What is the InChIKey of 2-[4-(2-methylphenyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide?
The InChIKey is FIVKKUCJLOUJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-15-5-2-3-8-18(15)22-11-9-21(10-12-22)14-19(24)20-16-6-4-7-17(13-16)23(25)26/h2-8,13H,9-12,14H2,1H3,(H,20,24).
What are the key properties of 2-[4-(2-methylphenyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide?
2-[4-(2-methylphenyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide has a molecular weight of 354.41 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylphenyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide is sourced from PubChem (CID 8726302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).