2-(4-ethoxyphenyl)-1-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone

C24H26FN3O3 — CID 91888755

IUPAC2-(4-ethoxyphenyl)-1-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone
SMILESCCOc1ccc(CC(=O)N2CCC(Cc3nc(-c4ccc(F)cc4)no3)CC2)cc1
InChIInChI=1S/C24H26FN3O3/c1-2-30-21-9-3-17(4-10-21)16-23(29)28-13-11-18(12-14-28)15-22-26-24(27-31-22)19-5-7-20(25)8-6-19/h3-10,18H,2,11-16H2,1H3
InChIKeyQQZOMYXETFTFPW-UHFFFAOYSA-N
MW423.49 g/mol
LogP4.30
Rot. Bonds7

About 2-(4-ethoxyphenyl)-1-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone

2-(4-ethoxyphenyl)-1-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone (PubChem CID 91888755) has the molecular formula C24H26FN3O3 and a molecular weight of 423.49 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-1-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-1-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone
PubChem CID91888755
Molecular FormulaC24H26FN3O3
Molecular Weight423.49 g/mol
Exact Mass423.20
IUPAC Name2-(4-ethoxyphenyl)-1-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone
SMILESCCOc1ccc(CC(=O)N2CCC(Cc3nc(-c4ccc(F)cc4)no3)CC2)cc1
InChIInChI=1S/C24H26FN3O3/c1-2-30-21-9-3-17(4-10-21)16-23(29)28-13-11-18(12-14-28)15-22-26-24(27-31-22)19-5-7-20(25)8-6-19/h3-10,18H,2,11-16H2,1H3
InChIKeyQQZOMYXETFTFPW-UHFFFAOYSA-N
XLogP4.30
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(3-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-morpholin-4-ylbutan-1-one
CID 1832159
4-[3-(2-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(morpholin-4-yl)butan-1-one
CID 1836481
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)propanamide
CID 1839545
3-[3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidin-1-ylpropan-1-one
CID 2020010
1-[3-[3-(3-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl]-1-butanone
CID 3226016
(R)-1-{2-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-2-phenoxy-ethanone
CID 16736346
N-[(R)-2-(4-{3-[4-(5-Cyclopentylmethyl-[1,2,4]oxadiazol-3-yl)-3-fluoro-phenoxy]-propyl}-piperazin-1-yl)-1-methyl-2-oxo-ethyl]-2-(4-methoxy-phenyl)-acetamide
CID 44373750
N-[(R)-2-(4-{3-[4-(5-Cyclopentylmethyl-[1,2,4]oxadiazol-3-yl)-3-fluoro-phenoxy]-propyl}-piperazin-1-yl)-1-methyl-2-oxo-ethyl]-propionamide
CID 44373760
N-[(R)-2-(4-{3-[4-(5-Cyclopentylmethyl-[1,2,4]oxadiazol-3-yl)-3-fluoro-phenoxy]-propyl}-piperazin-1-yl)-1-methyl-2-oxo-ethyl]-2-(4-fluoro-phenyl)-acetamide
CID 44373798
N-[(R)-2-(4-{3-[3-Fluoro-4-(5-phenyl-[1,2,4]oxadiazol-3-yl)-phenoxy]-propyl}-piperazin-1-yl)-1-methyl-2-oxo-ethyl]-3-methyl-butyramide
CID 44373941
N-[(R)-2-(4-{3-[4-(5-Cyclopentylmethyl-[1,2,4]oxadiazol-3-yl)-3-fluoro-phenoxy]-propyl}-piperazin-1-yl)-1-methyl-2-oxo-ethyl]-3,3-dimethyl-butyramide
CID 44374157
1-(azetidin-1-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone
CID 70856302

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-1-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-ethoxyphenyl)-1-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone (CID 91888755) is 2-(4-ethoxyphenyl)-1-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-ethoxyphenyl)-1-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-ethoxyphenyl)-1-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone is CCOc1ccc(CC(=O)N2CCC(Cc3nc(-c4ccc(F)cc4)no3)CC2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-1-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone?
The InChIKey is QQZOMYXETFTFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O3/c1-2-30-21-9-3-17(4-10-21)16-23(29)28-13-11-18(12-14-28)15-22-26-24(27-31-22)19-5-7-20(25)8-6-19/h3-10,18H,2,11-16H2,1H3.
What are the key properties of 2-(4-ethoxyphenyl)-1-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone?
2-(4-ethoxyphenyl)-1-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone has a molecular weight of 423.49 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-1-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 91888755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).