4-[(4-fluorophenyl)-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxylic acid

C16H15F4N3O3 — CID 150072368

IUPAC4-[(4-fluorophenyl)-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(C(c2ccc(F)cc2)c2nc(C(F)(F)F)no2)CC1
InChIInChI=1S/C16H15F4N3O3/c17-11-3-1-9(2-4-11)12(10-5-7-23(8-6-10)15(24)25)13-21-14(22-26-13)16(18,19)20/h1-4,10,12H,5-8H2,(H,24,25)
InChIKeyDPNXERRSUFDNHL-UHFFFAOYSA-N
MW373.31 g/mol
LogP3.75
Rot. Bonds3

About 4-[(4-fluorophenyl)-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxylic acid

4-[(4-fluorophenyl)-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxylic acid (PubChem CID 150072368) has the molecular formula C16H15F4N3O3 and a molecular weight of 373.31 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-fluorophenyl)-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxylic acid
PubChem CID150072368
Molecular FormulaC16H15F4N3O3
Molecular Weight373.31 g/mol
Exact Mass373.10
IUPAC Name4-[(4-fluorophenyl)-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(C(c2ccc(F)cc2)c2nc(C(F)(F)F)no2)CC1
InChIInChI=1S/C16H15F4N3O3/c17-11-3-1-9(2-4-11)12(10-5-7-23(8-6-10)15(24)25)13-21-14(22-26-13)16(18,19)20/h1-4,10,12H,5-8H2,(H,24,25)
InChIKeyDPNXERRSUFDNHL-UHFFFAOYSA-N
XLogP3.75
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.31
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(4-fluorophenyl)-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxylic acid (CID 150072368) is 4-[(4-fluorophenyl)-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(4-fluorophenyl)-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(4-fluorophenyl)-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxylic acid is O=C(O)N1CCC(C(c2ccc(F)cc2)c2nc(C(F)(F)F)no2)CC1.
What is the InChIKey of 4-[(4-fluorophenyl)-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxylic acid?
The InChIKey is DPNXERRSUFDNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4N3O3/c17-11-3-1-9(2-4-11)12(10-5-7-23(8-6-10)15(24)25)13-21-14(22-26-13)16(18,19)20/h1-4,10,12H,5-8H2,(H,24,25).
What are the key properties of 4-[(4-fluorophenyl)-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxylic acid?
4-[(4-fluorophenyl)-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxylic acid has a molecular weight of 373.31 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 150072368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).