3-[5-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]oxyindazol-1-yl]propanoic acid

C23H22F3N3O5 — CID 134810261

IUPAC3-[5-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]oxyindazol-1-yl]propanoic acid
SMILESO=C(O)CCn1ncc2cc(OC3CCN(C(=O)c4ccccc4OC(F)(F)F)CC3)ccc21
InChIInChI=1S/C23H22F3N3O5/c24-23(25,26)34-20-4-2-1-3-18(20)22(32)28-10-7-16(8-11-28)33-17-5-6-19-15(13-17)14-27-29(19)12-9-21(30)31/h1-6,13-14,16H,7-12H2,(H,30,31)
InChIKeyADQGVYHMZBQWFS-UHFFFAOYSA-N
MW477.44 g/mol
LogP4.09
Rot. Bonds7

About 3-[5-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]oxyindazol-1-yl]propanoic acid

3-[5-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]oxyindazol-1-yl]propanoic acid (PubChem CID 134810261) has the molecular formula C23H22F3N3O5 and a molecular weight of 477.44 g/mol. Its IUPAC name is 3-[5-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]oxyindazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]oxyindazol-1-yl]propanoic acid
PubChem CID134810261
Molecular FormulaC23H22F3N3O5
Molecular Weight477.44 g/mol
Exact Mass477.15
IUPAC Name3-[5-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]oxyindazol-1-yl]propanoic acid
SMILESO=C(O)CCn1ncc2cc(OC3CCN(C(=O)c4ccccc4OC(F)(F)F)CC3)ccc21
InChIInChI=1S/C23H22F3N3O5/c24-23(25,26)34-20-4-2-1-3-18(20)22(32)28-10-7-16(8-11-28)33-17-5-6-19-15(13-17)14-27-29(19)12-9-21(30)31/h1-6,13-14,16H,7-12H2,(H,30,31)
InChIKeyADQGVYHMZBQWFS-UHFFFAOYSA-N
XLogP4.09
TPSA93.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.44
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]oxyindazol-1-yl]propanoic acid?
The IUPAC name of 3-[5-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]oxyindazol-1-yl]propanoic acid (CID 134810261) is 3-[5-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]oxyindazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[5-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]oxyindazol-1-yl]propanoic acid?
The canonical SMILES for 3-[5-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]oxyindazol-1-yl]propanoic acid is O=C(O)CCn1ncc2cc(OC3CCN(C(=O)c4ccccc4OC(F)(F)F)CC3)ccc21.
What is the InChIKey of 3-[5-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]oxyindazol-1-yl]propanoic acid?
The InChIKey is ADQGVYHMZBQWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O5/c24-23(25,26)34-20-4-2-1-3-18(20)22(32)28-10-7-16(8-11-28)33-17-5-6-19-15(13-17)14-27-29(19)12-9-21(30)31/h1-6,13-14,16H,7-12H2,(H,30,31).
What are the key properties of 3-[5-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]oxyindazol-1-yl]propanoic acid?
3-[5-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]oxyindazol-1-yl]propanoic acid has a molecular weight of 477.44 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]oxyindazol-1-yl]propanoic acid is sourced from PubChem (CID 134810261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).