4-[2-(4-fluorophenoxy)acetyl]piperazin-2-one

C12H13FN2O3 — CID 31095507

IUPAC4-[2-(4-fluorophenoxy)acetyl]piperazin-2-one
SMILESO=C1CN(C(=O)COc2ccc(F)cc2)CCN1
InChIInChI=1S/C12H13FN2O3/c13-9-1-3-10(4-2-9)18-8-12(17)15-6-5-14-11(16)7-15/h1-4H,5-8H2,(H,14,16)
InChIKeyZINWEUHWBUWDFU-UHFFFAOYSA-N
MW252.25 g/mol
LogP0.16
Rot. Bonds3

About 4-[2-(4-fluorophenoxy)acetyl]piperazin-2-one

4-[2-(4-fluorophenoxy)acetyl]piperazin-2-one (PubChem CID 31095507) has the molecular formula C12H13FN2O3 and a molecular weight of 252.25 g/mol. Its IUPAC name is 4-[2-(4-fluorophenoxy)acetyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-(4-fluorophenoxy)acetyl]piperazin-2-one
PubChem CID31095507
Molecular FormulaC12H13FN2O3
Molecular Weight252.25 g/mol
Exact Mass252.09
IUPAC Name4-[2-(4-fluorophenoxy)acetyl]piperazin-2-one
SMILESO=C1CN(C(=O)COc2ccc(F)cc2)CCN1
InChIInChI=1S/C12H13FN2O3/c13-9-1-3-10(4-2-9)18-8-12(17)15-6-5-14-11(16)7-15/h1-4H,5-8H2,(H,14,16)
InChIKeyZINWEUHWBUWDFU-UHFFFAOYSA-N
XLogP0.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 154828949
1-[2-(4-fluorophenoxy)acetyl]-5-oxopiperazine-2-carboxylic acid
CID 107433138
2-[4-(4-fluorobenzoyl)phenoxy]-1-piperazin-1-ylethanone
CID 167771023
1-[3-(4-fluorophenoxy)propanoyl]-1,4-diazepan-5-one
CID 62045227
4-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperazin-2-one
CID 60656740
4-[2-(4-bromo-2-chlorophenoxy)acetyl]piperazin-2-one
CID 47006993
1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]butan-1-one
CID 110817306
3-methoxy-4-[2-oxo-2-(3-oxopiperazin-1-yl)ethoxy]benzonitrile
CID 51074220
4-[2-(4-fluorophenoxy)acetyl]-1-(4-methylphenyl)piperazin-2-one
CID 70780139
2-(4-fluorophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 66291676
1-(azocan-1-yl)-2-[4-(4-fluorobenzoyl)phenoxy]ethanone
CID 55397362
6-(4-fluorophenyl)-2-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]pyridazin-3-one
CID 51049174

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenoxy)acetyl]piperazin-2-one?
The IUPAC name of 4-[2-(4-fluorophenoxy)acetyl]piperazin-2-one (CID 31095507) is 4-[2-(4-fluorophenoxy)acetyl]piperazin-2-one.
What is the SMILES notation for 4-[2-(4-fluorophenoxy)acetyl]piperazin-2-one?
The canonical SMILES for 4-[2-(4-fluorophenoxy)acetyl]piperazin-2-one is O=C1CN(C(=O)COc2ccc(F)cc2)CCN1.
What is the InChIKey of 4-[2-(4-fluorophenoxy)acetyl]piperazin-2-one?
The InChIKey is ZINWEUHWBUWDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3/c13-9-1-3-10(4-2-9)18-8-12(17)15-6-5-14-11(16)7-15/h1-4H,5-8H2,(H,14,16).
What are the key properties of 4-[2-(4-fluorophenoxy)acetyl]piperazin-2-one?
4-[2-(4-fluorophenoxy)acetyl]piperazin-2-one has a molecular weight of 252.25 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenoxy)acetyl]piperazin-2-one is sourced from PubChem (CID 31095507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).