2-[3-methoxy-4-(trifluoromethyl)phenoxy]-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide

C20H22F6N4O6 — CID 155234076

About 2-[3-methoxy-4-(trifluoromethyl)phenoxy]-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide

2-[3-methoxy-4-(trifluoromethyl)phenoxy]-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide (PubChem CID 155234076) has the molecular formula C20H22F6N4O6 and a molecular weight of 528.41 g/mol. Its IUPAC name is 2-[3-methoxy-4-(trifluoromethyl)phenoxy]-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-[3-methoxy-4-(trifluoromethyl)phenoxy]-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide
• PubChem CID: 155234076
• Molecular Formula: C20H22F6N4O6
• Molecular Weight: 528.41 g/mol
• Exact Mass: 528.14
• IUPAC Name: 2-[3-methoxy-4-(trifluoromethyl)phenoxy]-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide
• SMILES: COc1cc(OCC(=O)N[C@H]2CC[C@H](c3nnc(OCCOC(F)(F)F)o3)NC2)ccc1C(F)(F)F
• InChI: InChI=1S/C20H22F6N4O6/c1-32-15-8-12(3-4-13(15)19(21,22)23)34-10-16(31)28-11-2-5-14(27-9-11)17-29-30-18(36-17)33-6-7-35-20(24,25)26/h3-4,8,11,14,27H,2,5-7,9-10H2,1H3,(H,28,31)/t11-,14+/m0/s1
• InChIKey: FEOXHZVLRJNPPU-SMDDNHRTSA-N
• XLogP: 3.00
• TPSA: 116.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.41
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-4-(trifluoromethyl)phenoxy]-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide?

The IUPAC name of 2-[3-methoxy-4-(trifluoromethyl)phenoxy]-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide (CID 155234076) is 2-[3-methoxy-4-(trifluoromethyl)phenoxy]-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide.

What is the SMILES notation for 2-[3-methoxy-4-(trifluoromethyl)phenoxy]-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide?

The canonical SMILES for 2-[3-methoxy-4-(trifluoromethyl)phenoxy]-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide is COc1cc(OCC(=O)N[C@H]2CC[C@H](c3nnc(OCCOC(F)(F)F)o3)NC2)ccc1C(F)(F)F.

What is the InChIKey of 2-[3-methoxy-4-(trifluoromethyl)phenoxy]-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide?

The InChIKey is FEOXHZVLRJNPPU-SMDDNHRTSA-N. The full InChI is InChI=1S/C20H22F6N4O6/c1-32-15-8-12(3-4-13(15)19(21,22)23)34-10-16(31)28-11-2-5-14(27-9-11)17-29-30-18(36-17)33-6-7-35-20(24,25)26/h3-4,8,11,14,27H,2,5-7,9-10H2,1H3,(H,28,31)/t11-,14+/m0/s1.

What are the key properties of 2-[3-methoxy-4-(trifluoromethyl)phenoxy]-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide?

2-[3-methoxy-4-(trifluoromethyl)phenoxy]-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide has a molecular weight of 528.41 g/mol, XLogP of 3.00, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-methoxy-4-(trifluoromethyl)phenoxy]-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide is sourced from PubChem (CID 155234076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).