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

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

3-fluoro-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]-4-(trifluoromethyl)benzamide (PubChem CID 163263667) has the molecular formula C18H17F7N4O4 and a molecular weight of 486.34 g/mol. Its IUPAC name is 3-fluoro-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name	3-fluoro-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]-4-(trifluoromethyl)benzamide
PubChem CID	163263667
Molecular Formula	C18H17F7N4O4
Molecular Weight	486.34 g/mol
Exact Mass	486.11
IUPAC Name	3-fluoro-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]-4-(trifluoromethyl)benzamide
SMILES	O=C(N[C@H]1CC[C@H](c2nnc(OCCOC(F)(F)F)o2)NC1)c1ccc(C(F)(F)F)c(F)c1
InChI	InChI=1S/C18H17F7N4O4/c19-12-7-9(1-3-11(12)17(20,21)22)14(30)27-10-2-4-13(26-8-10)15-28-29-16(33-15)31-5-6-32-18(23,24)25/h1,3,7,10,13,26H,2,4-6,8H2,(H,27,30)/t10-,13+/m0/s1
InChIKey	UVUVLLJOMFYNLT-GXFFZTMASA-N
XLogP	3.37
TPSA	98.51 Å²
H-Bond Donors	2
H-Bond Acceptors	7
Rotatable Bonds	7
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.34
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

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

The IUPAC name of 3-fluoro-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]-4-(trifluoromethyl)benzamide (CID 163263667) is 3-fluoro-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]-4-(trifluoromethyl)benzamide.

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

The canonical SMILES for 3-fluoro-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]-4-(trifluoromethyl)benzamide is O=C(N[C@H]1CC[C@H](c2nnc(OCCOC(F)(F)F)o2)NC1)c1ccc(C(F)(F)F)c(F)c1.

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

The InChIKey is UVUVLLJOMFYNLT-GXFFZTMASA-N. The full InChI is InChI=1S/C18H17F7N4O4/c19-12-7-9(1-3-11(12)17(20,21)22)14(30)27-10-2-4-13(26-8-10)15-28-29-16(33-15)31-5-6-32-18(23,24)25/h1,3,7,10,13,26H,2,4-6,8H2,(H,27,30)/t10-,13+/m0/s1.

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

3-fluoro-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 486.34 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 163263667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).