3-ethyl-5-[[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole

C17H22FN3O — CID 60502187

IUPAC3-ethyl-5-[[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCCc1noc(CN2CCC(Cc3cccc(F)c3)CC2)n1
InChIInChI=1S/C17H22FN3O/c1-2-16-19-17(22-20-16)12-21-8-6-13(7-9-21)10-14-4-3-5-15(18)11-14/h3-5,11,13H,2,6-10,12H2,1H3
InChIKeyKDPJIIRRRXGFJL-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.23
Rot. Bonds5

About 3-ethyl-5-[[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole

3-ethyl-5-[[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 60502187) has the molecular formula C17H22FN3O and a molecular weight of 303.38 g/mol. Its IUPAC name is 3-ethyl-5-[[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethyl-5-[[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID60502187
Molecular FormulaC17H22FN3O
Molecular Weight303.38 g/mol
Exact Mass303.17
IUPAC Name3-ethyl-5-[[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCCc1noc(CN2CCC(Cc3cccc(F)c3)CC2)n1
InChIInChI=1S/C17H22FN3O/c1-2-16-19-17(22-20-16)12-21-8-6-13(7-9-21)10-14-4-3-5-15(18)11-14/h3-5,11,13H,2,6-10,12H2,1H3
InChIKeyKDPJIIRRRXGFJL-UHFFFAOYSA-N
XLogP3.23
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-ethyl-5-[[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole (CID 60502187) is 3-ethyl-5-[[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethyl-5-[[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-ethyl-5-[[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole is CCc1noc(CN2CCC(Cc3cccc(F)c3)CC2)n1.
What is the InChIKey of 3-ethyl-5-[[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is KDPJIIRRRXGFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O/c1-2-16-19-17(22-20-16)12-21-8-6-13(7-9-21)10-14-4-3-5-15(18)11-14/h3-5,11,13H,2,6-10,12H2,1H3.
What are the key properties of 3-ethyl-5-[[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
3-ethyl-5-[[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 303.38 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 60502187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).