3-(4-ethoxyphenyl)piperazin-2-one

C12H16N2O2 — CID 62352288

IUPAC3-(4-ethoxyphenyl)piperazin-2-one
SMILESCCOc1ccc(C2NCCNC2=O)cc1
InChIInChI=1S/C12H16N2O2/c1-2-16-10-5-3-9(4-6-10)11-12(15)14-8-7-13-11/h3-6,11,13H,2,7-8H2,1H3,(H,14,15)
InChIKeyUDARTQLAVQXPCU-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.85
Rot. Bonds3

About 3-(4-ethoxyphenyl)piperazin-2-one

3-(4-ethoxyphenyl)piperazin-2-one (PubChem CID 62352288) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)piperazin-2-one.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)piperazin-2-one
PubChem CID62352288
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name3-(4-ethoxyphenyl)piperazin-2-one
SMILESCCOc1ccc(C2NCCNC2=O)cc1
InChIInChI=1S/C12H16N2O2/c1-2-16-10-5-3-9(4-6-10)11-12(15)14-8-7-13-11/h3-6,11,13H,2,7-8H2,1H3,(H,14,15)
InChIKeyUDARTQLAVQXPCU-UHFFFAOYSA-N
XLogP0.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-5-(4-ethoxyphenyl)imidazolidine-2,4-dione
CID 708719
ethane;3-(4-methoxyphenyl)-1,4-diazepan-2-one
CID 171840578
3-naphthalen-2-ylpiperazin-2-one
CID 62349991
(1R)-6,7-diethoxy-1-(4-ethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 672677
(2R,4R,6S,8S)-2,4,6,8-tetrakis(4-ethoxyphenyl)-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 40629509
4-(4-ethoxyphenyl)piperidine
CID 21495191
2-(4-ethoxyphenyl)cyclohexan-1-one
CID 62801107
3-chloro-4-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 106694973
(2R)-3-acetyl-2-(4-ethoxyphenyl)-4-hydroxy-1,2-dihydropyrrol-5-one
CID 7236372
1-(4-ethoxyphenyl)-2,3-dihydro-1H-isoindole
CID 65042203
3-(4-ethoxyphenyl)thiomorpholine
CID 54164455
(3S)-3-(3-methylphenyl)piperazin-2-one
CID 55252949

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)piperazin-2-one?
The IUPAC name of 3-(4-ethoxyphenyl)piperazin-2-one (CID 62352288) is 3-(4-ethoxyphenyl)piperazin-2-one.
What is the SMILES notation for 3-(4-ethoxyphenyl)piperazin-2-one?
The canonical SMILES for 3-(4-ethoxyphenyl)piperazin-2-one is CCOc1ccc(C2NCCNC2=O)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)piperazin-2-one?
The InChIKey is UDARTQLAVQXPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-2-16-10-5-3-9(4-6-10)11-12(15)14-8-7-13-11/h3-6,11,13H,2,7-8H2,1H3,(H,14,15).
What are the key properties of 3-(4-ethoxyphenyl)piperazin-2-one?
3-(4-ethoxyphenyl)piperazin-2-one has a molecular weight of 220.27 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)piperazin-2-one is sourced from PubChem (CID 62352288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).