4-[2-(2-ethoxyphenyl)-2-oxoethyl]-3-ethylpiperazin-2-one

C16H22N2O3 — CID 63601149

IUPAC4-[2-(2-ethoxyphenyl)-2-oxoethyl]-3-ethylpiperazin-2-one
SMILESCCOc1ccccc1C(=O)CN1CCNC(=O)C1CC
InChIInChI=1S/C16H22N2O3/c1-3-13-16(20)17-9-10-18(13)11-14(19)12-7-5-6-8-15(12)21-4-2/h5-8,13H,3-4,9-11H2,1-2H3,(H,17,20)
InChIKeyHRFLQHCLTAPOSG-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.48
Rot. Bonds6

About 4-[2-(2-ethoxyphenyl)-2-oxoethyl]-3-ethylpiperazin-2-one

4-[2-(2-ethoxyphenyl)-2-oxoethyl]-3-ethylpiperazin-2-one (PubChem CID 63601149) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-[2-(2-ethoxyphenyl)-2-oxoethyl]-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(2-ethoxyphenyl)-2-oxoethyl]-3-ethylpiperazin-2-one
PubChem CID63601149
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-[2-(2-ethoxyphenyl)-2-oxoethyl]-3-ethylpiperazin-2-one
SMILESCCOc1ccccc1C(=O)CN1CCNC(=O)C1CC
InChIInChI=1S/C16H22N2O3/c1-3-13-16(20)17-9-10-18(13)11-14(19)12-7-5-6-8-15(12)21-4-2/h5-8,13H,3-4,9-11H2,1-2H3,(H,17,20)
InChIKeyHRFLQHCLTAPOSG-UHFFFAOYSA-N
XLogP1.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-2-one
CID 63602736
methyl 2-[(2S)-1-[2-(2-ethoxyanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 8560991
3-ethyl-4-(2-oxo-3-phenylpropyl)piperazin-2-one
CID 63602203
2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 95723540
butyl 2-[(2R)-1-(2-ethoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 9298216
3-ethyl-4-(2-oxopropyl)piperazin-2-one
CID 63600634
3-[2-(2-ethoxyphenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 62023536
3-ethyl-4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]piperazin-2-one
CID 63601156
1-[2-(2-ethoxyphenyl)-2-oxoethyl]piperidine-2-carboxamide
CID 62037237
1-(2-ethoxyphenyl)-2-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116635347
1-(2-ethoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanone
CID 43796226
4-(3,3-dimethyl-2-oxobutyl)-3-ethylpiperazin-2-one
CID 63600469

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-ethoxyphenyl)-2-oxoethyl]-3-ethylpiperazin-2-one?
The IUPAC name of 4-[2-(2-ethoxyphenyl)-2-oxoethyl]-3-ethylpiperazin-2-one (CID 63601149) is 4-[2-(2-ethoxyphenyl)-2-oxoethyl]-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-[2-(2-ethoxyphenyl)-2-oxoethyl]-3-ethylpiperazin-2-one?
The canonical SMILES for 4-[2-(2-ethoxyphenyl)-2-oxoethyl]-3-ethylpiperazin-2-one is CCOc1ccccc1C(=O)CN1CCNC(=O)C1CC.
What is the InChIKey of 4-[2-(2-ethoxyphenyl)-2-oxoethyl]-3-ethylpiperazin-2-one?
The InChIKey is HRFLQHCLTAPOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-13-16(20)17-9-10-18(13)11-14(19)12-7-5-6-8-15(12)21-4-2/h5-8,13H,3-4,9-11H2,1-2H3,(H,17,20).
What are the key properties of 4-[2-(2-ethoxyphenyl)-2-oxoethyl]-3-ethylpiperazin-2-one?
4-[2-(2-ethoxyphenyl)-2-oxoethyl]-3-ethylpiperazin-2-one has a molecular weight of 290.36 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-ethoxyphenyl)-2-oxoethyl]-3-ethylpiperazin-2-one is sourced from PubChem (CID 63601149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).