4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

C14H15F3N4O2S — CID 52952728

IUPAC4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESO=C(NCC(F)(F)F)N1CCC(c2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C14H15F3N4O2S/c15-14(16,17)8-18-13(22)21-5-3-9(4-6-21)12-19-11(20-23-12)10-2-1-7-24-10/h1-2,7,9H,3-6,8H2,(H,18,22)
InChIKeyDGSPQOJPNNALAW-UHFFFAOYSA-N
MW360.36 g/mol
LogP3.25
Rot. Bonds3

About 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (PubChem CID 52952728) has the molecular formula C14H15F3N4O2S and a molecular weight of 360.36 g/mol. Its IUPAC name is 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
PubChem CID52952728
Molecular FormulaC14H15F3N4O2S
Molecular Weight360.36 g/mol
Exact Mass360.09
IUPAC Name4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESO=C(NCC(F)(F)F)N1CCC(c2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C14H15F3N4O2S/c15-14(16,17)8-18-13(22)21-5-3-9(4-6-21)12-19-11(20-23-12)10-2-1-7-24-10/h1-2,7,9H,3-6,8H2,(H,18,22)
InChIKeyDGSPQOJPNNALAW-UHFFFAOYSA-N
XLogP3.25
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The IUPAC name of 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (CID 52952728) is 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is O=C(NCC(F)(F)F)N1CCC(c2nc(-c3cccs3)no2)CC1.
What is the InChIKey of 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The InChIKey is DGSPQOJPNNALAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O2S/c15-14(16,17)8-18-13(22)21-5-3-9(4-6-21)12-19-11(20-23-12)10-2-1-7-24-10/h1-2,7,9H,3-6,8H2,(H,18,22).
What are the key properties of 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide has a molecular weight of 360.36 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is sourced from PubChem (CID 52952728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).