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

C22H22FN3O2 — CID 121069413

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

1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-(3-methylphenyl)ethanone (PubChem CID 121069413) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is 1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-(3-methylphenyl)ethanone.

Molecular Properties

• Compound Name: 1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-(3-methylphenyl)ethanone
• PubChem CID: 121069413
• Molecular Formula: C22H22FN3O2
• Molecular Weight: 379.44 g/mol
• Exact Mass: 379.17
• IUPAC Name: 1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-(3-methylphenyl)ethanone
• SMILES: Cc1cccc(CC(=O)N2CCCC(c3nnc(-c4ccc(F)cc4)o3)C2)c1
• InChI: InChI=1S/C22H22FN3O2/c1-15-4-2-5-16(12-15)13-20(27)26-11-3-6-18(14-26)22-25-24-21(28-22)17-7-9-19(23)10-8-17/h2,4-5,7-10,12,18H,3,6,11,13-14H2,1H3
• InChIKey: ZZFTVIYEDLDZAX-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 59.23 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.44
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-(3-methylphenyl)ethanone (CID 121069413) is 1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-(3-methylphenyl)ethanone.

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

The canonical SMILES for 1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-(3-methylphenyl)ethanone is Cc1cccc(CC(=O)N2CCCC(c3nnc(-c4ccc(F)cc4)o3)C2)c1.

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

The InChIKey is ZZFTVIYEDLDZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-15-4-2-5-16(12-15)13-20(27)26-11-3-6-18(14-26)22-25-24-21(28-22)17-7-9-19(23)10-8-17/h2,4-5,7-10,12,18H,3,6,11,13-14H2,1H3.

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

1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-(3-methylphenyl)ethanone has a molecular weight of 379.44 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-(3-methylphenyl)ethanone is sourced from PubChem (CID 121069413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).