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

C14H20F3N3O2S — CID 120637592

IUPAC4-(methoxymethyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-4-carboxamide
SMILESCOCC1(C(=O)N(C)Cc2nc(C(F)(F)F)cs2)CCNCC1
InChIInChI=1S/C14H20F3N3O2S/c1-20(7-11-19-10(8-23-11)14(15,16)17)12(21)13(9-22-2)3-5-18-6-4-13/h8,18H,3-7,9H2,1-2H3
InChIKeyQQOFIFSDNHWYQK-UHFFFAOYSA-N
MW351.39 g/mol
LogP2.14
Rot. Bonds5

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

4-(methoxymethyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-4-carboxamide (PubChem CID 120637592) has the molecular formula C14H20F3N3O2S and a molecular weight of 351.39 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-4-carboxamide
PubChem CID120637592
Molecular FormulaC14H20F3N3O2S
Molecular Weight351.39 g/mol
Exact Mass351.12
IUPAC Name4-(methoxymethyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-4-carboxamide
SMILESCOCC1(C(=O)N(C)Cc2nc(C(F)(F)F)cs2)CCNCC1
InChIInChI=1S/C14H20F3N3O2S/c1-20(7-11-19-10(8-23-11)14(15,16)17)12(21)13(9-22-2)3-5-18-6-4-13/h8,18H,3-7,9H2,1-2H3
InChIKeyQQOFIFSDNHWYQK-UHFFFAOYSA-N
XLogP2.14
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 4-(methoxymethyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-4-carboxamide (CID 120637592) is 4-(methoxymethyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-(methoxymethyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 4-(methoxymethyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-4-carboxamide is COCC1(C(=O)N(C)Cc2nc(C(F)(F)F)cs2)CCNCC1.
What is the InChIKey of 4-(methoxymethyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-4-carboxamide?
The InChIKey is QQOFIFSDNHWYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O2S/c1-20(7-11-19-10(8-23-11)14(15,16)17)12(21)13(9-22-2)3-5-18-6-4-13/h8,18H,3-7,9H2,1-2H3.
What are the key properties of 4-(methoxymethyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-4-carboxamide?
4-(methoxymethyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-4-carboxamide has a molecular weight of 351.39 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 120637592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).