2-(4-ethylpiperazin-1-yl)-N-(2-nitrophenyl)acetamide

C14H20N4O3 — CID 22199010

IUPAC2-(4-ethylpiperazin-1-yl)-N-(2-nitrophenyl)acetamide
SMILESCCN1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C14H20N4O3/c1-2-16-7-9-17(10-8-16)11-14(19)15-12-5-3-4-6-13(12)18(20)21/h3-6H,2,7-11H2,1H3,(H,15,19)
InChIKeyDGDIVOCEPUDRRV-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.17
Rot. Bonds5

About 2-(4-ethylpiperazin-1-yl)-N-(2-nitrophenyl)acetamide

2-(4-ethylpiperazin-1-yl)-N-(2-nitrophenyl)acetamide (PubChem CID 22199010) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-N-(2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-N-(2-nitrophenyl)acetamide
PubChem CID22199010
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name2-(4-ethylpiperazin-1-yl)-N-(2-nitrophenyl)acetamide
SMILESCCN1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C14H20N4O3/c1-2-16-7-9-17(10-8-16)11-14(19)15-12-5-3-4-6-13(12)18(20)21/h3-6H,2,7-11H2,1H3,(H,15,19)
InChIKeyDGDIVOCEPUDRRV-UHFFFAOYSA-N
XLogP1.17
TPSA78.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.17
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-[(4-methylphenyl)methyl]piperazin-1-yl]-N-(2-nitrophenyl)acetamide
CID 22194967
2-(4-hydroxypiperidin-1-yl)-N-(2-nitrophenyl)acetamide
CID 31480734
1-[2-(2-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 2919057
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide
CID 3212835
N-[1-[2-(2-nitroanilino)-2-oxoethyl]piperidin-4-yl]benzamide
CID 33102987
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
N-[2-(aminomethyl)phenyl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 16783173
2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide;hydrochloride
CID 23323553
N-(2-nitrophenyl)-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 31376638
2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide
CID 36632423
N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6469217
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-nitrophenyl)propanamide
CID 55410920

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-(2-nitrophenyl)acetamide?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-(2-nitrophenyl)acetamide (CID 22199010) is 2-(4-ethylpiperazin-1-yl)-N-(2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-N-(2-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-N-(2-nitrophenyl)acetamide is CCN1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-N-(2-nitrophenyl)acetamide?
The InChIKey is DGDIVOCEPUDRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-2-16-7-9-17(10-8-16)11-14(19)15-12-5-3-4-6-13(12)18(20)21/h3-6H,2,7-11H2,1H3,(H,15,19).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-N-(2-nitrophenyl)acetamide?
2-(4-ethylpiperazin-1-yl)-N-(2-nitrophenyl)acetamide has a molecular weight of 292.34 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-N-(2-nitrophenyl)acetamide is sourced from PubChem (CID 22199010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).