1-[[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C18H23F3N4O2S — CID 166216793

IUPAC1-[[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCc1sc(-c2nnc(CN3CCCC(C(=O)NCC(F)(F)F)C3)o2)cc1C
InChIInChI=1S/C18H23F3N4O2S/c1-3-13-11(2)7-14(28-13)17-24-23-15(27-17)9-25-6-4-5-12(8-25)16(26)22-10-18(19,20)21/h7,12H,3-6,8-10H2,1-2H3,(H,22,26)
InChIKeyYYPAQGSLAZVVHT-UHFFFAOYSA-N
MW416.47 g/mol
LogP3.56
Rot. Bonds6

About 1-[[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

1-[[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 166216793) has the molecular formula C18H23F3N4O2S and a molecular weight of 416.47 g/mol. Its IUPAC name is 1-[[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID166216793
Molecular FormulaC18H23F3N4O2S
Molecular Weight416.47 g/mol
Exact Mass416.15
IUPAC Name1-[[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCc1sc(-c2nnc(CN3CCCC(C(=O)NCC(F)(F)F)C3)o2)cc1C
InChIInChI=1S/C18H23F3N4O2S/c1-3-13-11(2)7-14(28-13)17-24-23-15(27-17)9-25-6-4-5-12(8-25)16(26)22-10-18(19,20)21/h7,12H,3-6,8-10H2,1-2H3,(H,22,26)
InChIKeyYYPAQGSLAZVVHT-UHFFFAOYSA-N
XLogP3.56
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-phenylpiperidine-3-carboxamide
CID 46405367
(3S)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97160125
1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 87017418
N-tert-butyl-1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide
CID 166603104
1-(oxan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71988710
(3R)-1-[(3-fluorophenyl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94819145
1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide
CID 172893555
ethyl (3S)-1-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxylate
CID 36795920
ethyl 1-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxylate
CID 42926003
2-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazole
CID 31404350
(3R)-1-[2-[(2R)-oxolan-2-yl]ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 129433486
(3R)-1-[(2S)-2-hydroxy-3-methoxypropyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 99847417

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 166216793) is 1-[[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is CCc1sc(-c2nnc(CN3CCCC(C(=O)NCC(F)(F)F)C3)o2)cc1C.
What is the InChIKey of 1-[[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is YYPAQGSLAZVVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N4O2S/c1-3-13-11(2)7-14(28-13)17-24-23-15(27-17)9-25-6-4-5-12(8-25)16(26)22-10-18(19,20)21/h7,12H,3-6,8-10H2,1-2H3,(H,22,26).
What are the key properties of 1-[[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
1-[[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 416.47 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 166216793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).