1-[3-[3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-pyridin-3-ylethanone

C22H23FN4O3 — CID 91912834

IUPAC1-[3-[3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)N1CCCC(c2nc(CCOc3ccc(F)cc3)no2)C1
InChIInChI=1S/C22H23FN4O3/c23-18-5-7-19(8-6-18)29-12-9-20-25-22(30-26-20)17-4-2-11-27(15-17)21(28)13-16-3-1-10-24-14-16/h1,3,5-8,10,14,17H,2,4,9,11-13,15H2
InChIKeyXMWNUIFHIZJMPJ-UHFFFAOYSA-N
MW410.45 g/mol
LogP3.17
Rot. Bonds7

About 1-[3-[3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-pyridin-3-ylethanone

1-[3-[3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-pyridin-3-ylethanone (PubChem CID 91912834) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is 1-[3-[3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-[3-[3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
PubChem CID91912834
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC Name1-[3-[3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)N1CCCC(c2nc(CCOc3ccc(F)cc3)no2)C1
InChIInChI=1S/C22H23FN4O3/c23-18-5-7-19(8-6-18)29-12-9-20-25-22(30-26-20)17-4-2-11-27(15-17)21(28)13-16-3-1-10-24-14-16/h1,3,5-8,10,14,17H,2,4,9,11-13,15H2
InChIKeyXMWNUIFHIZJMPJ-UHFFFAOYSA-N
XLogP3.17
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-pyridin-3-ylethanone?
The IUPAC name of 1-[3-[3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-pyridin-3-ylethanone (CID 91912834) is 1-[3-[3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-[3-[3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-pyridin-3-ylethanone?
The canonical SMILES for 1-[3-[3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-pyridin-3-ylethanone is O=C(Cc1cccnc1)N1CCCC(c2nc(CCOc3ccc(F)cc3)no2)C1.
What is the InChIKey of 1-[3-[3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-pyridin-3-ylethanone?
The InChIKey is XMWNUIFHIZJMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3/c23-18-5-7-19(8-6-18)29-12-9-20-25-22(30-26-20)17-4-2-11-27(15-17)21(28)13-16-3-1-10-24-14-16/h1,3,5-8,10,14,17H,2,4,9,11-13,15H2.
What are the key properties of 1-[3-[3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-pyridin-3-ylethanone?
1-[3-[3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-pyridin-3-ylethanone has a molecular weight of 410.45 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-pyridin-3-ylethanone is sourced from PubChem (CID 91912834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).