4-[2-(3-fluorophenyl)-2-oxoethyl]piperazin-2-one

C12H13FN2O2 — CID 60680435

IUPAC4-[2-(3-fluorophenyl)-2-oxoethyl]piperazin-2-one
SMILESO=C1CN(CC(=O)c2cccc(F)c2)CCN1
InChIInChI=1S/C12H13FN2O2/c13-10-3-1-2-9(6-10)11(16)7-15-5-4-14-12(17)8-15/h1-3,6H,4-5,7-8H2,(H,14,17)
InChIKeyFANQKGVNAXOTNV-UHFFFAOYSA-N
MW236.25 g/mol
LogP0.44
Rot. Bonds3

About 4-[2-(3-fluorophenyl)-2-oxoethyl]piperazin-2-one

4-[2-(3-fluorophenyl)-2-oxoethyl]piperazin-2-one (PubChem CID 60680435) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is 4-[2-(3-fluorophenyl)-2-oxoethyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-(3-fluorophenyl)-2-oxoethyl]piperazin-2-one
PubChem CID60680435
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name4-[2-(3-fluorophenyl)-2-oxoethyl]piperazin-2-one
SMILESO=C1CN(CC(=O)c2cccc(F)c2)CCN1
InChIInChI=1S/C12H13FN2O2/c13-10-3-1-2-9(6-10)11(16)7-15-5-4-14-12(17)8-15/h1-3,6H,4-5,7-8H2,(H,14,17)
InChIKeyFANQKGVNAXOTNV-UHFFFAOYSA-N
XLogP0.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(3-methylphenyl)-2-oxoethyl]piperazin-2-one
CID 62052117
4-[2-(3-fluorophenyl)-2-oxoethyl]piperazine-2,6-dione
CID 66083375
4-[2-(4-hydroxyphenyl)-2-oxoethyl]piperazin-2-one
CID 60680436
4-[2-(3-nitrophenyl)-2-oxoethyl]-1,4-diazepan-2-one
CID 65366431
4-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]piperazin-2-one
CID 60680385
4-[2-(2,4-difluorophenyl)-2-oxoethyl]-1,4-diazepan-2-one
CID 65366677
1-phenacyl-1,4-diazepan-5-one
CID 63004139
1-(3-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 62024778
4-[2-amino-2-(3-fluorophenyl)ethyl]piperazin-2-one
CID 18069544
2-[4-(dimethylamino)piperidin-1-yl]-1-(3-fluorophenyl)ethanone
CID 43797315
4-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-1,4-diazepan-2-one
CID 65366624
1-[2-(3-nitrophenyl)-2-oxoethyl]-1,4-diazepan-5-one
CID 63004144

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluorophenyl)-2-oxoethyl]piperazin-2-one?
The IUPAC name of 4-[2-(3-fluorophenyl)-2-oxoethyl]piperazin-2-one (CID 60680435) is 4-[2-(3-fluorophenyl)-2-oxoethyl]piperazin-2-one.
What is the SMILES notation for 4-[2-(3-fluorophenyl)-2-oxoethyl]piperazin-2-one?
The canonical SMILES for 4-[2-(3-fluorophenyl)-2-oxoethyl]piperazin-2-one is O=C1CN(CC(=O)c2cccc(F)c2)CCN1.
What is the InChIKey of 4-[2-(3-fluorophenyl)-2-oxoethyl]piperazin-2-one?
The InChIKey is FANQKGVNAXOTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c13-10-3-1-2-9(6-10)11(16)7-15-5-4-14-12(17)8-15/h1-3,6H,4-5,7-8H2,(H,14,17).
What are the key properties of 4-[2-(3-fluorophenyl)-2-oxoethyl]piperazin-2-one?
4-[2-(3-fluorophenyl)-2-oxoethyl]piperazin-2-one has a molecular weight of 236.25 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluorophenyl)-2-oxoethyl]piperazin-2-one is sourced from PubChem (CID 60680435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).