4-acetyl-2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]benzonitrile

C22H19FN4O2 — CID 133457282

About 4-acetyl-2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]benzonitrile

4-acetyl-2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]benzonitrile (PubChem CID 133457282) has the molecular formula C22H19FN4O2 and a molecular weight of 390.42 g/mol. Its IUPAC name is 4-acetyl-2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]benzonitrile.

Molecular Properties

• Compound Name: 4-acetyl-2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]benzonitrile
• PubChem CID: 133457282
• Molecular Formula: C22H19FN4O2
• Molecular Weight: 390.42 g/mol
• Exact Mass: 390.15
• IUPAC Name: 4-acetyl-2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]benzonitrile
• SMILES: CC(=O)c1ccc(C#N)c(N2CCCC(c3nc(-c4cccc(F)c4)no3)C2)c1
• InChI: InChI=1S/C22H19FN4O2/c1-14(28)15-7-8-17(12-24)20(11-15)27-9-3-5-18(13-27)22-25-21(26-29-22)16-4-2-6-19(23)10-16/h2,4,6-8,10-11,18H,3,5,9,13H2,1H3
• InChIKey: SUOYLJGEIMQKSI-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 83.02 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.42
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]benzonitrile?

The IUPAC name of 4-acetyl-2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]benzonitrile (CID 133457282) is 4-acetyl-2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]benzonitrile.

What is the SMILES notation for 4-acetyl-2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]benzonitrile?

The canonical SMILES for 4-acetyl-2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]benzonitrile is CC(=O)c1ccc(C#N)c(N2CCCC(c3nc(-c4cccc(F)c4)no3)C2)c1.

What is the InChIKey of 4-acetyl-2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]benzonitrile?

The InChIKey is SUOYLJGEIMQKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O2/c1-14(28)15-7-8-17(12-24)20(11-15)27-9-3-5-18(13-27)22-25-21(26-29-22)16-4-2-6-19(23)10-16/h2,4,6-8,10-11,18H,3,5,9,13H2,1H3.

What are the key properties of 4-acetyl-2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]benzonitrile?

4-acetyl-2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]benzonitrile has a molecular weight of 390.42 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-acetyl-2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]benzonitrile is sourced from PubChem (CID 133457282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).