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

C14H22N2O2S — CID 56789549

IUPAC1-[4-(ethoxymethyl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCCOCC1CCN(C(=O)Cc2csc(C)n2)CC1
InChIInChI=1S/C14H22N2O2S/c1-3-18-9-12-4-6-16(7-5-12)14(17)8-13-10-19-11(2)15-13/h10,12H,3-9H2,1-2H3
InChIKeyQDSCQKMCVQUKCA-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.27
Rot. Bonds5

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

1-[4-(ethoxymethyl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone (PubChem CID 56789549) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-[4-(ethoxymethyl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[4-(ethoxymethyl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
PubChem CID56789549
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-[4-(ethoxymethyl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCCOCC1CCN(C(=O)Cc2csc(C)n2)CC1
InChIInChI=1S/C14H22N2O2S/c1-3-18-9-12-4-6-16(7-5-12)14(17)8-13-10-19-11(2)15-13/h10,12H,3-9H2,1-2H3
InChIKeyQDSCQKMCVQUKCA-UHFFFAOYSA-N
XLogP2.27
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethoxymethyl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-[4-(ethoxymethyl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone (CID 56789549) is 1-[4-(ethoxymethyl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-[4-(ethoxymethyl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-[4-(ethoxymethyl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone is CCOCC1CCN(C(=O)Cc2csc(C)n2)CC1.
What is the InChIKey of 1-[4-(ethoxymethyl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is QDSCQKMCVQUKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-18-9-12-4-6-16(7-5-12)14(17)8-13-10-19-11(2)15-13/h10,12H,3-9H2,1-2H3.
What are the key properties of 1-[4-(ethoxymethyl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
1-[4-(ethoxymethyl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 282.41 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethoxymethyl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 56789549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).