1-[(3S)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one

C17H20FN3O2 — CID 99963533

About 1-[(3S)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one

1-[(3S)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one (PubChem CID 99963533) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 1-[(3S)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one.

Molecular Properties

• Compound Name: 1-[(3S)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one
• PubChem CID: 99963533
• Molecular Formula: C17H20FN3O2
• Molecular Weight: 317.36 g/mol
• Exact Mass: 317.15
• IUPAC Name: 1-[(3S)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one
• SMILES: CCCC(=O)N1CCC[C@H](c2nnc(-c3ccc(F)cc3)o2)C1
• InChI: InChI=1S/C17H20FN3O2/c1-2-4-15(22)21-10-3-5-13(11-21)17-20-19-16(23-17)12-6-8-14(18)9-7-12/h6-9,13H,2-5,10-11H2,1H3/t13-/m0/s1
• InChIKey: FJVUHAUSKGFRKL-ZDUSSCGKSA-N
• XLogP: 3.38
• TPSA: 59.23 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	317.36
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-[(3S)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one (CID 99963533) is 1-[(3S)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one.

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

The canonical SMILES for 1-[(3S)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one is CCCC(=O)N1CCC[C@H](c2nnc(-c3ccc(F)cc3)o2)C1.

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

The InChIKey is FJVUHAUSKGFRKL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-2-4-15(22)21-10-3-5-13(11-21)17-20-19-16(23-17)12-6-8-14(18)9-7-12/h6-9,13H,2-5,10-11H2,1H3/t13-/m0/s1.

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

1-[(3S)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one has a molecular weight of 317.36 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3S)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 99963533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).