4-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid

C13H20N2O2S — CID 63126111

IUPAC4-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid
SMILESCCc1csc(N2CCC(CC)(C(=O)O)CC2)n1
InChIInChI=1S/C13H20N2O2S/c1-3-10-9-18-12(14-10)15-7-5-13(4-2,6-8-15)11(16)17/h9H,3-8H2,1-2H3,(H,16,17)
InChIKeyGVKNLFYAFCHUPW-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.79
Rot. Bonds4

About 4-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid

4-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid (PubChem CID 63126111) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 4-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid
PubChem CID63126111
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name4-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid
SMILESCCc1csc(N2CCC(CC)(C(=O)O)CC2)n1
InChIInChI=1S/C13H20N2O2S/c1-3-10-9-18-12(14-10)15-7-5-13(4-2,6-8-15)11(16)17/h9H,3-8H2,1-2H3,(H,16,17)
InChIKeyGVKNLFYAFCHUPW-UHFFFAOYSA-N
XLogP2.79
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid (CID 63126111) is 4-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid is CCc1csc(N2CCC(CC)(C(=O)O)CC2)n1.
What is the InChIKey of 4-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid?
The InChIKey is GVKNLFYAFCHUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-3-10-9-18-12(14-10)15-7-5-13(4-2,6-8-15)11(16)17/h9H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 4-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid?
4-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid has a molecular weight of 268.38 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 63126111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).