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

C22H22FN3O3 — CID 50846500

IUPAC2-(4-fluorophenoxy)-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]ethanone
SMILESO=C(COc1ccc(F)cc1)N1CCC(Cc2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C22H22FN3O3/c23-18-6-8-19(9-7-18)28-15-21(27)26-12-10-16(11-13-26)14-20-24-25-22(29-20)17-4-2-1-3-5-17/h1-9,16H,10-15H2
InChIKeyPQSOTWXJZJIWGM-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.74
Rot. Bonds6

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

2-(4-fluorophenoxy)-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 50846500) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]ethanone
PubChem CID50846500
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC Name2-(4-fluorophenoxy)-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]ethanone
SMILESO=C(COc1ccc(F)cc1)N1CCC(Cc2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C22H22FN3O3/c23-18-6-8-19(9-7-18)28-15-21(27)26-12-10-16(11-13-26)14-20-24-25-22(29-20)17-4-2-1-3-5-17/h1-9,16H,10-15H2
InChIKeyPQSOTWXJZJIWGM-UHFFFAOYSA-N
XLogP3.74
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenoxy)-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]ethanone (CID 50846500) is 2-(4-fluorophenoxy)-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenoxy)-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenoxy)-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]ethanone is O=C(COc1ccc(F)cc1)N1CCC(Cc2nnc(-c3ccccc3)o2)CC1.
What is the InChIKey of 2-(4-fluorophenoxy)-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is PQSOTWXJZJIWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c23-18-6-8-19(9-7-18)28-15-21(27)26-12-10-16(11-13-26)14-20-24-25-22(29-20)17-4-2-1-3-5-17/h1-9,16H,10-15H2.
What are the key properties of 2-(4-fluorophenoxy)-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]ethanone?
2-(4-fluorophenoxy)-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 395.43 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 50846500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).