2-(4-acetylpiperazin-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide

C14H17ClN4O4 — CID 2088142

IUPAC2-(4-acetylpiperazin-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide
SMILESCC(=O)N1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1
InChIInChI=1S/C14H17ClN4O4/c1-10(20)18-6-4-17(5-7-18)9-14(21)16-13-8-11(19(22)23)2-3-12(13)15/h2-3,8H,4-7,9H2,1H3,(H,16,21)
InChIKeyCCAKDKUTRXIZND-UHFFFAOYSA-N
MW340.77 g/mol
LogP1.35
Rot. Bonds4

About 2-(4-acetylpiperazin-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide

2-(4-acetylpiperazin-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide (PubChem CID 2088142) has the molecular formula C14H17ClN4O4 and a molecular weight of 340.77 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide
PubChem CID2088142
Molecular FormulaC14H17ClN4O4
Molecular Weight340.77 g/mol
Exact Mass340.09
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide
SMILESCC(=O)N1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1
InChIInChI=1S/C14H17ClN4O4/c1-10(20)18-6-4-17(5-7-18)9-14(21)16-13-8-11(19(22)23)2-3-12(13)15/h2-3,8H,4-7,9H2,1H3,(H,16,21)
InChIKeyCCAKDKUTRXIZND-UHFFFAOYSA-N
XLogP1.35
TPSA95.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 51.35
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'}

Analyze 2-(4-acetylpiperazin-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N(O-Clph)-3-N'-piperidinoacetamide
CID 779151
2-(azepan-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide
CID 2091880
1-(2-Chloro-5-nitrophenyl)-4-methylpiperazine
CID 673952
N-(2-chloro-5-nitrophenyl)pentanamide
CID 2275761
6-Chloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione
CID 4264803
N-(2-chloro-5-nitrophenyl)-2-morpholin-4-ylacetamide
CID 2082921
2-Azepan-1-yl-N-(2-chloro-4-nitro-phenyl)-acetamide
CID 3127752
N-(2-((2-Chloro-4,6-dinitrophenyl)azo)-5-(diethylamino)phenyl)acetamide
CID 3017688
N-(2,4-dichlorophenyl)-2-(4-methyl-1-piperazinyl)acetamide
CID 1250898
N-(3-nitrophenyl)-2-oxo-2-(1-piperidinyl)acetamide
CID 2193983
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-nitrophenyl)acetamide
CID 4967368
N-(4-chloro-3-nitrophenyl)-2-(4-oxo-3-sulfamoyl-1-pyridinyl)acetamide
CID 71455715

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide (CID 2088142) is 2-(4-acetylpiperazin-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide is CC(=O)N1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide?
The InChIKey is CCAKDKUTRXIZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O4/c1-10(20)18-6-4-17(5-7-18)9-14(21)16-13-8-11(19(22)23)2-3-12(13)15/h2-3,8H,4-7,9H2,1H3,(H,16,21).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide?
2-(4-acetylpiperazin-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide has a molecular weight of 340.77 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide is sourced from PubChem (CID 2088142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).