(4-piperidin-1-ylsulfonylphenyl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone

C26H27F3N4O4S — CID 121069206

About (4-piperidin-1-ylsulfonylphenyl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone

(4-piperidin-1-ylsulfonylphenyl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (PubChem CID 121069206) has the molecular formula C26H27F3N4O4S and a molecular weight of 548.59 g/mol. Its IUPAC name is (4-piperidin-1-ylsulfonylphenyl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (4-piperidin-1-ylsulfonylphenyl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
• PubChem CID: 121069206
• Molecular Formula: C26H27F3N4O4S
• Molecular Weight: 548.59 g/mol
• Exact Mass: 548.17
• IUPAC Name: (4-piperidin-1-ylsulfonylphenyl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
• SMILES: O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCCC(c2nnc(-c3ccc(C(F)(F)F)cc3)o2)C1
• InChI: InChI=1S/C26H27F3N4O4S/c27-26(28,29)21-10-6-18(7-11-21)23-30-31-24(37-23)20-5-4-14-32(17-20)25(34)19-8-12-22(13-9-19)38(35,36)33-15-2-1-3-16-33/h6-13,20H,1-5,14-17H2
• InChIKey: TUVNHENFHMELTR-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 96.61 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	548.59
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4-piperidin-1-ylsulfonylphenyl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?

The IUPAC name of (4-piperidin-1-ylsulfonylphenyl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (CID 121069206) is (4-piperidin-1-ylsulfonylphenyl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.

What is the SMILES notation for (4-piperidin-1-ylsulfonylphenyl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?

The canonical SMILES for (4-piperidin-1-ylsulfonylphenyl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCCC(c2nnc(-c3ccc(C(F)(F)F)cc3)o2)C1.

What is the InChIKey of (4-piperidin-1-ylsulfonylphenyl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?

The InChIKey is TUVNHENFHMELTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N4O4S/c27-26(28,29)21-10-6-18(7-11-21)23-30-31-24(37-23)20-5-4-14-32(17-20)25(34)19-8-12-22(13-9-19)38(35,36)33-15-2-1-3-16-33/h6-13,20H,1-5,14-17H2.

What are the key properties of (4-piperidin-1-ylsulfonylphenyl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?

(4-piperidin-1-ylsulfonylphenyl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 548.59 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4-piperidin-1-ylsulfonylphenyl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 121069206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).