2-[[1-[[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methylamino]acetic acid;2,2,2-trifluoroacetic acid

C19H22F4N4O5 — CID 167868097

About 2-[[1-[[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methylamino]acetic acid;2,2,2-trifluoroacetic acid

2-[[1-[[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methylamino]acetic acid;2,2,2-trifluoroacetic acid (PubChem CID 167868097) has the molecular formula C19H22F4N4O5 and a molecular weight of 462.40 g/mol. Its IUPAC name is 2-[[1-[[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methylamino]acetic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 2-[[1-[[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methylamino]acetic acid;2,2,2-trifluoroacetic acid
• PubChem CID: 167868097
• Molecular Formula: C19H22F4N4O5
• Molecular Weight: 462.40 g/mol
• Exact Mass: 462.15
• IUPAC Name: 2-[[1-[[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methylamino]acetic acid;2,2,2-trifluoroacetic acid
• SMILES: O=C(O)C(F)(F)F.O=C(O)CNCC1CCCN(Cc2noc(-c3ccccc3F)n2)C1
• InChI: InChI=1S/C17H21FN4O3.C2HF3O2/c18-14-6-2-1-5-13(14)17-20-15(21-25-17)11-22-7-3-4-12(10-22)8-19-9-16(23)24;3-2(4,5)1(6)7/h1-2,5-6,12,19H,3-4,7-11H2,(H,23,24);(H,6,7)
• InChIKey: FHQAFJHNVHIUKW-UHFFFAOYSA-N
• XLogP: 2.40
• TPSA: 128.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.40
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methylamino]acetic acid;2,2,2-trifluoroacetic acid?

The IUPAC name of 2-[[1-[[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methylamino]acetic acid;2,2,2-trifluoroacetic acid (CID 167868097) is 2-[[1-[[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methylamino]acetic acid;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 2-[[1-[[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methylamino]acetic acid;2,2,2-trifluoroacetic acid?

The canonical SMILES for 2-[[1-[[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methylamino]acetic acid;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(O)CNCC1CCCN(Cc2noc(-c3ccccc3F)n2)C1.

What is the InChIKey of 2-[[1-[[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methylamino]acetic acid;2,2,2-trifluoroacetic acid?

The InChIKey is FHQAFJHNVHIUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O3.C2HF3O2/c18-14-6-2-1-5-13(14)17-20-15(21-25-17)11-22-7-3-4-12(10-22)8-19-9-16(23)24;3-2(4,5)1(6)7/h1-2,5-6,12,19H,3-4,7-11H2,(H,23,24);(H,6,7).

What are the key properties of 2-[[1-[[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methylamino]acetic acid;2,2,2-trifluoroacetic acid?

2-[[1-[[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methylamino]acetic acid;2,2,2-trifluoroacetic acid has a molecular weight of 462.40 g/mol, XLogP of 2.40, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[1-[[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methylamino]acetic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 167868097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).