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

C22H22FN3O3 — CID 53121826

IUPAC2-(3-fluorophenyl)-1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone
SMILESCOc1cccc(-c2nc(C3CCN(C(=O)Cc4cccc(F)c4)CC3)no2)c1
InChIInChI=1S/C22H22FN3O3/c1-28-19-7-3-5-17(14-19)22-24-21(25-29-22)16-8-10-26(11-9-16)20(27)13-15-4-2-6-18(23)12-15/h2-7,12,14,16H,8-11,13H2,1H3
InChIKeySKKRGLKQXFTFRZ-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.83
Rot. Bonds5

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

2-(3-fluorophenyl)-1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone (PubChem CID 53121826) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone
PubChem CID53121826
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC Name2-(3-fluorophenyl)-1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone
SMILESCOc1cccc(-c2nc(C3CCN(C(=O)Cc4cccc(F)c4)CC3)no2)c1
InChIInChI=1S/C22H22FN3O3/c1-28-19-7-3-5-17(14-19)22-24-21(25-29-22)16-8-10-26(11-9-16)20(27)13-15-4-2-6-18(23)12-15/h2-7,12,14,16H,8-11,13H2,1H3
InChIKeySKKRGLKQXFTFRZ-UHFFFAOYSA-N
XLogP3.83
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone (CID 53121826) is 2-(3-fluorophenyl)-1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone is COc1cccc(-c2nc(C3CCN(C(=O)Cc4cccc(F)c4)CC3)no2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone?
The InChIKey is SKKRGLKQXFTFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-28-19-7-3-5-17(14-19)22-24-21(25-29-22)16-8-10-26(11-9-16)20(27)13-15-4-2-6-18(23)12-15/h2-7,12,14,16H,8-11,13H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone?
2-(3-fluorophenyl)-1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone has a molecular weight of 395.43 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 53121826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).