N-(2-acetamidoethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide

C16H21FN4O3 — CID 108514164

IUPACN-(2-acetamidoethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
SMILESCC(=O)NCCNC(=O)C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H21FN4O3/c1-12(22)18-6-7-19-15(23)16(24)21-10-8-20(9-11-21)14-4-2-13(17)3-5-14/h2-5H,6-11H2,1H3,(H,18,22)(H,19,23)
InChIKeyILMSQKOTKDYYFA-UHFFFAOYSA-N
MW336.37 g/mol
LogP-0.27
Rot. Bonds4

About N-(2-acetamidoethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide

N-(2-acetamidoethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide (PubChem CID 108514164) has the molecular formula C16H21FN4O3 and a molecular weight of 336.37 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
PubChem CID108514164
Molecular FormulaC16H21FN4O3
Molecular Weight336.37 g/mol
Exact Mass336.16
IUPAC NameN-(2-acetamidoethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
SMILESCC(=O)NCCNC(=O)C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H21FN4O3/c1-12(22)18-6-7-19-15(23)16(24)21-10-8-20(9-11-21)14-4-2-13(17)3-5-14/h2-5H,6-11H2,1H3,(H,18,22)(H,19,23)
InChIKeyILMSQKOTKDYYFA-UHFFFAOYSA-N
XLogP-0.27
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-formamidopropyl)-2-oxoacetamide
CID 108514136
2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-(3-phenylpropyl)acetamide
CID 108985750
N-(2-acetamidoethyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108531247
1-(4-acetylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethane-1,2-dione
CID 108508298
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)-2-oxoacetamide
CID 108514068
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 108984156
4-(4-fluorophenyl)-N-(3-oxobutyl)piperazine-1-carboxamide
CID 108895046
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 56762711
(Z)-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-one
CID 889084
3-(ethylamino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 62832473
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-one
CID 889083

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(2-acetamidoethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide (CID 108514164) is N-(2-acetamidoethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide is CC(=O)NCCNC(=O)C(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N-(2-acetamidoethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide?
The InChIKey is ILMSQKOTKDYYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O3/c1-12(22)18-6-7-19-15(23)16(24)21-10-8-20(9-11-21)14-4-2-13(17)3-5-14/h2-5H,6-11H2,1H3,(H,18,22)(H,19,23).
What are the key properties of N-(2-acetamidoethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide?
N-(2-acetamidoethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide has a molecular weight of 336.37 g/mol, XLogP of -0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 108514164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).