2-(4-fluorophenoxy)-1-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone

C22H22FN3O4 — CID 91918505

IUPAC2-(4-fluorophenoxy)-1-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone
SMILESO=C(COc1ccc(F)cc1)N1CCCC(c2noc(COc3ccccc3)n2)C1
InChIInChI=1S/C22H22FN3O4/c23-17-8-10-19(11-9-17)29-15-21(27)26-12-4-5-16(13-26)22-24-20(30-25-22)14-28-18-6-2-1-3-7-18/h1-3,6-11,16H,4-5,12-15H2
InChIKeyRXXXBBRHNWOLJY-UHFFFAOYSA-N
MW411.43 g/mol
LogP3.57
Rot. Bonds7

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

2-(4-fluorophenoxy)-1-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone (PubChem CID 91918505) has the molecular formula C22H22FN3O4 and a molecular weight of 411.43 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-1-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-1-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone
PubChem CID91918505
Molecular FormulaC22H22FN3O4
Molecular Weight411.43 g/mol
Exact Mass411.16
IUPAC Name2-(4-fluorophenoxy)-1-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone
SMILESO=C(COc1ccc(F)cc1)N1CCCC(c2noc(COc3ccccc3)n2)C1
InChIInChI=1S/C22H22FN3O4/c23-17-8-10-19(11-9-17)29-15-21(27)26-12-4-5-16(13-26)22-24-20(30-25-22)14-28-18-6-2-1-3-7-18/h1-3,6-11,16H,4-5,12-15H2
InChIKeyRXXXBBRHNWOLJY-UHFFFAOYSA-N
XLogP3.57
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-1-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenoxy)-1-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone (CID 91918505) is 2-(4-fluorophenoxy)-1-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenoxy)-1-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenoxy)-1-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone is O=C(COc1ccc(F)cc1)N1CCCC(c2noc(COc3ccccc3)n2)C1.
What is the InChIKey of 2-(4-fluorophenoxy)-1-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone?
The InChIKey is RXXXBBRHNWOLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O4/c23-17-8-10-19(11-9-17)29-15-21(27)26-12-4-5-16(13-26)22-24-20(30-25-22)14-28-18-6-2-1-3-7-18/h1-3,6-11,16H,4-5,12-15H2.
What are the key properties of 2-(4-fluorophenoxy)-1-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone?
2-(4-fluorophenoxy)-1-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone has a molecular weight of 411.43 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-1-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 91918505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).