N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

C21H24F3N3O2S — CID 24793189

IUPACN-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCCc1csc(CCNC(=O)C2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)n1
InChIInChI=1S/C21H24F3N3O2S/c1-2-17-13-30-18(26-17)8-9-25-20(29)15-6-7-19(28)27(12-15)11-14-4-3-5-16(10-14)21(22,23)24/h3-5,10,13,15H,2,6-9,11-12H2,1H3,(H,25,29)
InChIKeyFOICMFTXEHDXHO-UHFFFAOYSA-N
MW439.50 g/mol
LogP3.82
Rot. Bonds7

About N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 24793189) has the molecular formula C21H24F3N3O2S and a molecular weight of 439.50 g/mol. Its IUPAC name is N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID24793189
Molecular FormulaC21H24F3N3O2S
Molecular Weight439.50 g/mol
Exact Mass439.15
IUPAC NameN-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCCc1csc(CCNC(=O)C2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)n1
InChIInChI=1S/C21H24F3N3O2S/c1-2-17-13-30-18(26-17)8-9-25-20(29)15-6-7-19(28)27(12-15)11-14-4-3-5-16(10-14)21(22,23)24/h3-5,10,13,15H,2,6-9,11-12H2,1H3,(H,25,29)
InChIKeyFOICMFTXEHDXHO-UHFFFAOYSA-N
XLogP3.82
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.50
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (CID 24793189) is N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is CCc1csc(CCNC(=O)C2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)n1.
What is the InChIKey of N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is FOICMFTXEHDXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O2S/c1-2-17-13-30-18(26-17)8-9-25-20(29)15-6-7-19(28)27(12-15)11-14-4-3-5-16(10-14)21(22,23)24/h3-5,10,13,15H,2,6-9,11-12H2,1H3,(H,25,29).
What are the key properties of N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 439.50 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 24793189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).