4-(methoxymethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-4-carboxamide

C13H18F3N3O2S — CID 120634284

IUPAC4-(methoxymethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-4-carboxamide
SMILESCOCC1(C(=O)NCc2nc(C(F)(F)F)cs2)CCNCC1
InChIInChI=1S/C13H18F3N3O2S/c1-21-8-12(2-4-17-5-3-12)11(20)18-6-10-19-9(7-22-10)13(14,15)16/h7,17H,2-6,8H2,1H3,(H,18,20)
InChIKeyKTADERQQVUFWKL-UHFFFAOYSA-N
MW337.37 g/mol
LogP1.79
Rot. Bonds5

About 4-(methoxymethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-4-carboxamide

4-(methoxymethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-4-carboxamide (PubChem CID 120634284) has the molecular formula C13H18F3N3O2S and a molecular weight of 337.37 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-4-carboxamide
PubChem CID120634284
Molecular FormulaC13H18F3N3O2S
Molecular Weight337.37 g/mol
Exact Mass337.11
IUPAC Name4-(methoxymethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-4-carboxamide
SMILESCOCC1(C(=O)NCc2nc(C(F)(F)F)cs2)CCNCC1
InChIInChI=1S/C13H18F3N3O2S/c1-21-8-12(2-4-17-5-3-12)11(20)18-6-10-19-9(7-22-10)13(14,15)16/h7,17H,2-6,8H2,1H3,(H,18,20)
InChIKeyKTADERQQVUFWKL-UHFFFAOYSA-N
XLogP1.79
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 4-(methoxymethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-4-carboxamide (CID 120634284) is 4-(methoxymethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-(methoxymethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 4-(methoxymethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-4-carboxamide is COCC1(C(=O)NCc2nc(C(F)(F)F)cs2)CCNCC1.
What is the InChIKey of 4-(methoxymethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-4-carboxamide?
The InChIKey is KTADERQQVUFWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2S/c1-21-8-12(2-4-17-5-3-12)11(20)18-6-10-19-9(7-22-10)13(14,15)16/h7,17H,2-6,8H2,1H3,(H,18,20).
What are the key properties of 4-(methoxymethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-4-carboxamide?
4-(methoxymethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-4-carboxamide has a molecular weight of 337.37 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 120634284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).