3-[4-(4-hydroxypiperidin-1-yl)-4-oxobutyl]-4-methyl-1,3-thiazol-2-one

C13H20N2O3S — CID 43393943

IUPAC3-[4-(4-hydroxypiperidin-1-yl)-4-oxobutyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCCC(=O)N1CCC(O)CC1
InChIInChI=1S/C13H20N2O3S/c1-10-9-19-13(18)15(10)6-2-3-12(17)14-7-4-11(16)5-8-14/h9,11,16H,2-8H2,1H3
InChIKeyGMNJLQOWYJRCEP-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.98
Rot. Bonds4

About 3-[4-(4-hydroxypiperidin-1-yl)-4-oxobutyl]-4-methyl-1,3-thiazol-2-one

3-[4-(4-hydroxypiperidin-1-yl)-4-oxobutyl]-4-methyl-1,3-thiazol-2-one (PubChem CID 43393943) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 3-[4-(4-hydroxypiperidin-1-yl)-4-oxobutyl]-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[4-(4-hydroxypiperidin-1-yl)-4-oxobutyl]-4-methyl-1,3-thiazol-2-one
PubChem CID43393943
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name3-[4-(4-hydroxypiperidin-1-yl)-4-oxobutyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCCC(=O)N1CCC(O)CC1
InChIInChI=1S/C13H20N2O3S/c1-10-9-19-13(18)15(10)6-2-3-12(17)14-7-4-11(16)5-8-14/h9,11,16H,2-8H2,1H3
InChIKeyGMNJLQOWYJRCEP-UHFFFAOYSA-N
XLogP0.98
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-hydroxypiperidin-1-yl)-4-oxobutyl]-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-[4-(4-hydroxypiperidin-1-yl)-4-oxobutyl]-4-methyl-1,3-thiazol-2-one (CID 43393943) is 3-[4-(4-hydroxypiperidin-1-yl)-4-oxobutyl]-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[4-(4-hydroxypiperidin-1-yl)-4-oxobutyl]-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[4-(4-hydroxypiperidin-1-yl)-4-oxobutyl]-4-methyl-1,3-thiazol-2-one is Cc1csc(=O)n1CCCC(=O)N1CCC(O)CC1.
What is the InChIKey of 3-[4-(4-hydroxypiperidin-1-yl)-4-oxobutyl]-4-methyl-1,3-thiazol-2-one?
The InChIKey is GMNJLQOWYJRCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10-9-19-13(18)15(10)6-2-3-12(17)14-7-4-11(16)5-8-14/h9,11,16H,2-8H2,1H3.
What are the key properties of 3-[4-(4-hydroxypiperidin-1-yl)-4-oxobutyl]-4-methyl-1,3-thiazol-2-one?
3-[4-(4-hydroxypiperidin-1-yl)-4-oxobutyl]-4-methyl-1,3-thiazol-2-one has a molecular weight of 284.38 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-hydroxypiperidin-1-yl)-4-oxobutyl]-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 43393943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).