2-ethoxy-1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone

C13H20N2O2S — CID 110114323

IUPAC2-ethoxy-1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
SMILESCCOCC(=O)N1CCC(C)(c2nccs2)CC1
InChIInChI=1S/C13H20N2O2S/c1-3-17-10-11(16)15-7-4-13(2,5-8-15)12-14-6-9-18-12/h6,9H,3-5,7-8,10H2,1-2H3
InChIKeyNJJKMHVTHQMIDX-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.06
Rot. Bonds4

About 2-ethoxy-1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone

2-ethoxy-1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 110114323) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-ethoxy-1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-ethoxy-1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
PubChem CID110114323
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-ethoxy-1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
SMILESCCOCC(=O)N1CCC(C)(c2nccs2)CC1
InChIInChI=1S/C13H20N2O2S/c1-3-17-10-11(16)15-7-4-13(2,5-8-15)12-14-6-9-18-12/h6,9H,3-5,7-8,10H2,1-2H3
InChIKeyNJJKMHVTHQMIDX-UHFFFAOYSA-N
XLogP2.06
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-ethoxy-1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone (CID 110114323) is 2-ethoxy-1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-ethoxy-1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-ethoxy-1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone is CCOCC(=O)N1CCC(C)(c2nccs2)CC1.
What is the InChIKey of 2-ethoxy-1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is NJJKMHVTHQMIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-3-17-10-11(16)15-7-4-13(2,5-8-15)12-14-6-9-18-12/h6,9H,3-5,7-8,10H2,1-2H3.
What are the key properties of 2-ethoxy-1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
2-ethoxy-1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 268.38 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 110114323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).