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

C14H18FN3O3 — CID 108528013

IUPAC2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-hydroxyethyl)-2-oxoacetamide
SMILESO=C(NCCO)C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C14H18FN3O3/c15-11-3-1-2-4-12(11)17-6-8-18(9-7-17)14(21)13(20)16-5-10-19/h1-4,19H,5-10H2,(H,16,20)
InChIKeyGRMSHAOQLBCLFE-UHFFFAOYSA-N
MW295.31 g/mol
LogP-0.42
Rot. Bonds3

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

2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-hydroxyethyl)-2-oxoacetamide (PubChem CID 108528013) has the molecular formula C14H18FN3O3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-hydroxyethyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-hydroxyethyl)-2-oxoacetamide
PubChem CID108528013
Molecular FormulaC14H18FN3O3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-hydroxyethyl)-2-oxoacetamide
SMILESO=C(NCCO)C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C14H18FN3O3/c15-11-3-1-2-4-12(11)17-6-8-18(9-7-17)14(21)13(20)16-5-10-19/h1-4,19H,5-10H2,(H,16,20)
InChIKeyGRMSHAOQLBCLFE-UHFFFAOYSA-N
XLogP-0.42
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 108514030
2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetohydrazide
CID 54936333
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)-2-oxoacetamide
CID 108518536
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 108521142
N-(2-hydroxyethyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108528029
methyl 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetate
CID 112683958
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione
CID 108532363
N-(2-chlorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 44902668
N-(2,4-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 44902220
N-(2,5-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 44902723
N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-N-methyloxamide
CID 42269225
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-morpholin-4-ylphenyl)-2-oxoacetamide
CID 108527539

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-hydroxyethyl)-2-oxoacetamide?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-hydroxyethyl)-2-oxoacetamide (CID 108528013) is 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-hydroxyethyl)-2-oxoacetamide.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-hydroxyethyl)-2-oxoacetamide?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-hydroxyethyl)-2-oxoacetamide is O=C(NCCO)C(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-hydroxyethyl)-2-oxoacetamide?
The InChIKey is GRMSHAOQLBCLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O3/c15-11-3-1-2-4-12(11)17-6-8-18(9-7-17)14(21)13(20)16-5-10-19/h1-4,19H,5-10H2,(H,16,20).
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-hydroxyethyl)-2-oxoacetamide?
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-hydroxyethyl)-2-oxoacetamide has a molecular weight of 295.31 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-hydroxyethyl)-2-oxoacetamide is sourced from PubChem (CID 108528013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).