1-(4-hydroxypiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone

C11H16N2O2S — CID 43391842

IUPAC1-(4-hydroxypiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(CC(=O)N2CCC(O)CC2)cs1
InChIInChI=1S/C11H16N2O2S/c1-8-12-9(7-16-8)6-11(15)13-4-2-10(14)3-5-13/h7,10,14H,2-6H2,1H3
InChIKeyRLYQFMVGFNQXRQ-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.98
Rot. Bonds2

About 1-(4-hydroxypiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone

1-(4-hydroxypiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone (PubChem CID 43391842) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-(4-hydroxypiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(4-hydroxypiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
PubChem CID43391842
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name1-(4-hydroxypiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(CC(=O)N2CCC(O)CC2)cs1
InChIInChI=1S/C11H16N2O2S/c1-8-12-9(7-16-8)6-11(15)13-4-2-10(14)3-5-13/h7,10,14H,2-6H2,1H3
InChIKeyRLYQFMVGFNQXRQ-UHFFFAOYSA-N
XLogP0.98
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-hydroxypiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxypiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-(4-hydroxypiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone (CID 43391842) is 1-(4-hydroxypiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-(4-hydroxypiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-(4-hydroxypiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone is Cc1nc(CC(=O)N2CCC(O)CC2)cs1.
What is the InChIKey of 1-(4-hydroxypiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is RLYQFMVGFNQXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-8-12-9(7-16-8)6-11(15)13-4-2-10(14)3-5-13/h7,10,14H,2-6H2,1H3.
What are the key properties of 1-(4-hydroxypiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
1-(4-hydroxypiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 240.33 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxypiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 43391842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).