2-(4-acetylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide

C16H20FN3O3 — CID 108984477

IUPAC2-(4-acetylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide
SMILESCC(=O)N1CCN(C(=O)C(=O)NCCc2ccccc2F)CC1
InChIInChI=1S/C16H20FN3O3/c1-12(21)19-8-10-20(11-9-19)16(23)15(22)18-7-6-13-4-2-3-5-14(13)17/h2-5H,6-11H2,1H3,(H,18,22)
InChIKeyIRFISFJSBWWULY-UHFFFAOYSA-N
MW321.35 g/mol
LogP0.18
Rot. Bonds3

About 2-(4-acetylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide

2-(4-acetylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide (PubChem CID 108984477) has the molecular formula C16H20FN3O3 and a molecular weight of 321.35 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide
PubChem CID108984477
Molecular FormulaC16H20FN3O3
Molecular Weight321.35 g/mol
Exact Mass321.15
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide
SMILESCC(=O)N1CCN(C(=O)C(=O)NCCc2ccccc2F)CC1
InChIInChI=1S/C16H20FN3O3/c1-12(21)19-8-10-20(11-9-19)16(23)15(22)18-7-6-13-4-2-3-5-14(13)17/h2-5H,6-11H2,1H3,(H,18,22)
InChIKeyIRFISFJSBWWULY-UHFFFAOYSA-N
XLogP0.18
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-acetyl-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 9268566
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide
CID 108985198
2-(2,3-dihydroindol-1-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide
CID 108985213
2-(4-acetylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-5-carboxamide
CID 109254758
1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111363030
N-[(2-fluorophenyl)methyl]-2-oxo-2-piperidin-1-ylacetamide
CID 108517300
N-[2-(2-fluorophenyl)ethyl]-4-propylpiperazine-1-carboxamide
CID 113103148
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide
CID 108985214
5-(4-acetylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109187365
N-[2-(2-fluorophenyl)ethyl]-3,5-dimethylpiperidine-1-carboxamide
CID 108900039
N-[2-(2-fluorophenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108985287
2-(4-acetylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]-2-oxoacetamide
CID 108984475

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide (CID 108984477) is 2-(4-acetylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide is CC(=O)N1CCN(C(=O)C(=O)NCCc2ccccc2F)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide?
The InChIKey is IRFISFJSBWWULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O3/c1-12(21)19-8-10-20(11-9-19)16(23)15(22)18-7-6-13-4-2-3-5-14(13)17/h2-5H,6-11H2,1H3,(H,18,22).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide?
2-(4-acetylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide has a molecular weight of 321.35 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide is sourced from PubChem (CID 108984477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).