2-(4-ethoxyphenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone

C20H23FN2O3 — CID 120737774

IUPAC2-(4-ethoxyphenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
SMILESCCOc1ccc(OCC(=O)N2CCNCC2c2cccc(F)c2)cc1
InChIInChI=1S/C20H23FN2O3/c1-2-25-17-6-8-18(9-7-17)26-14-20(24)23-11-10-22-13-19(23)15-4-3-5-16(21)12-15/h3-9,12,19,22H,2,10-11,13-14H2,1H3
InChIKeyWPUCTNSXNPKVCR-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.78
Rot. Bonds6

About 2-(4-ethoxyphenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone

2-(4-ethoxyphenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone (PubChem CID 120737774) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
PubChem CID120737774
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name2-(4-ethoxyphenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
SMILESCCOc1ccc(OCC(=O)N2CCNCC2c2cccc(F)c2)cc1
InChIInChI=1S/C20H23FN2O3/c1-2-25-17-6-8-18(9-7-17)26-14-20(24)23-11-10-22-13-19(23)15-4-3-5-16(21)12-15/h3-9,12,19,22H,2,10-11,13-14H2,1H3
InChIKeyWPUCTNSXNPKVCR-UHFFFAOYSA-N
XLogP2.78
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120736085
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 120736388
2-(4-chlorophenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120737113
2-(4-ethoxyphenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120732198
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 120737106
2-phenoxy-1-(2-phenylpiperazin-1-yl)ethanone
CID 82251696
2-ethylsulfonyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120736236
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)ethanone
CID 120803535
ethyl 2-[4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]phenoxy]acetate;hydrochloride
CID 120768431
3-ethyl-1-[2-(3-fluorophenyl)piperazin-1-yl]pentan-1-one
CID 120736504
1-[2-(3-fluorophenyl)piperazin-1-yl]-3-(3-methylphenoxy)propan-1-one
CID 120736748
1-[2-(3-fluorophenyl)piperazin-1-yl]-4-(4-methoxyphenyl)butane-1,4-dione
CID 120735703

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-ethoxyphenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone (CID 120737774) is 2-(4-ethoxyphenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-ethoxyphenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-ethoxyphenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone is CCOc1ccc(OCC(=O)N2CCNCC2c2cccc(F)c2)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone?
The InChIKey is WPUCTNSXNPKVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-2-25-17-6-8-18(9-7-17)26-14-20(24)23-11-10-22-13-19(23)15-4-3-5-16(21)12-15/h3-9,12,19,22H,2,10-11,13-14H2,1H3.
What are the key properties of 2-(4-ethoxyphenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone?
2-(4-ethoxyphenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone has a molecular weight of 358.41 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 120737774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).