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

C16H22FN3O3 — CID 108514106

IUPACN-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-hydroxyethyl)-2-oxoacetamide
SMILESCCN(CCO)C(=O)C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H22FN3O3/c1-2-18(11-12-21)15(22)16(23)20-9-7-19(8-10-20)14-5-3-13(17)4-6-14/h3-6,21H,2,7-12H2,1H3
InChIKeyFQBPAZDLWOYLFO-UHFFFAOYSA-N
MW323.37 g/mol
LogP0.32
Rot. Bonds4

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

N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-hydroxyethyl)-2-oxoacetamide (PubChem CID 108514106) has the molecular formula C16H22FN3O3 and a molecular weight of 323.37 g/mol. Its IUPAC name is N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-hydroxyethyl)-2-oxoacetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-hydroxyethyl)-2-oxoacetamide
PubChem CID108514106
Molecular FormulaC16H22FN3O3
Molecular Weight323.37 g/mol
Exact Mass323.16
IUPAC NameN-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-hydroxyethyl)-2-oxoacetamide
SMILESCCN(CCO)C(=O)C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H22FN3O3/c1-2-18(11-12-21)15(22)16(23)20-9-7-19(8-10-20)14-5-3-13(17)4-6-14/h3-6,21H,2,7-12H2,1H3
InChIKeyFQBPAZDLWOYLFO-UHFFFAOYSA-N
XLogP0.32
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 2197299
1-(4-acetylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethane-1,2-dione
CID 108508298
N-ethyl-N-(2-hydroxyethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide
CID 108522829
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
ethyl 4-(4-fluorophenyl)piperazine-1-carboxylate
CID 4179359
N,N-diethyl-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 109106568
3-[cyclopropyl(2-hydroxyethyl)amino]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 110892137
1-[4-(4-fluorophenyl)piperazin-1-yl]hexan-1-one
CID 591294
N-[(E)-but-1-enyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 108910602
N-(2-acetamidoethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 108514164
1-[4-(4-fluorophenyl)piperazin-1-yl]octan-1-one
CID 4161880
N-ethyl-2-oxo-N-phenyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 108518692

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-hydroxyethyl)-2-oxoacetamide?
The IUPAC name of N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-hydroxyethyl)-2-oxoacetamide (CID 108514106) is N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-hydroxyethyl)-2-oxoacetamide.
What is the SMILES notation for N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-hydroxyethyl)-2-oxoacetamide?
The canonical SMILES for N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-hydroxyethyl)-2-oxoacetamide is CCN(CCO)C(=O)C(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-hydroxyethyl)-2-oxoacetamide?
The InChIKey is FQBPAZDLWOYLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O3/c1-2-18(11-12-21)15(22)16(23)20-9-7-19(8-10-20)14-5-3-13(17)4-6-14/h3-6,21H,2,7-12H2,1H3.
What are the key properties of N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-hydroxyethyl)-2-oxoacetamide?
N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-hydroxyethyl)-2-oxoacetamide has a molecular weight of 323.37 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-hydroxyethyl)-2-oxoacetamide is sourced from PubChem (CID 108514106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).