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

C21H26FN3O3 — CID 91918936

IUPAC2-(3-fluorophenyl)-1-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone
SMILESO=C(Cc1cccc(F)c1)N1CCCC(Cc2nc(C3CCOCC3)no2)C1
InChIInChI=1S/C21H26FN3O3/c22-18-5-1-3-15(11-18)13-20(26)25-8-2-4-16(14-25)12-19-23-21(24-28-19)17-6-9-27-10-7-17/h1,3,5,11,16-17H,2,4,6-10,12-14H2
InChIKeyHITSEQKFIYAXSI-UHFFFAOYSA-N
MW387.46 g/mol
LogP3.13
Rot. Bonds5

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

2-(3-fluorophenyl)-1-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone (PubChem CID 91918936) has the molecular formula C21H26FN3O3 and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone
PubChem CID91918936
Molecular FormulaC21H26FN3O3
Molecular Weight387.46 g/mol
Exact Mass387.20
IUPAC Name2-(3-fluorophenyl)-1-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone
SMILESO=C(Cc1cccc(F)c1)N1CCCC(Cc2nc(C3CCOCC3)no2)C1
InChIInChI=1S/C21H26FN3O3/c22-18-5-1-3-15(11-18)13-20(26)25-8-2-4-16(14-25)12-19-23-21(24-28-19)17-6-9-27-10-7-17/h1,3,5,11,16-17H,2,4,6-10,12-14H2
InChIKeyHITSEQKFIYAXSI-UHFFFAOYSA-N
XLogP3.13
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 53.13
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-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone (CID 91918936) is 2-(3-fluorophenyl)-1-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone is O=C(Cc1cccc(F)c1)N1CCCC(Cc2nc(C3CCOCC3)no2)C1.
What is the InChIKey of 2-(3-fluorophenyl)-1-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone?
The InChIKey is HITSEQKFIYAXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O3/c22-18-5-1-3-15(11-18)13-20(26)25-8-2-4-16(14-25)12-19-23-21(24-28-19)17-6-9-27-10-7-17/h1,3,5,11,16-17H,2,4,6-10,12-14H2.
What are the key properties of 2-(3-fluorophenyl)-1-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone?
2-(3-fluorophenyl)-1-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone has a molecular weight of 387.46 g/mol, XLogP of 3.13, 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-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 91918936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).