1-(4-ethoxypiperidin-1-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one

C14H22N2O2S — CID 71931485

IUPAC1-(4-ethoxypiperidin-1-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one
SMILESCCOC1CCN(C(=O)CCc2csc(C)n2)CC1
InChIInChI=1S/C14H22N2O2S/c1-3-18-13-6-8-16(9-7-13)14(17)5-4-12-10-19-11(2)15-12/h10,13H,3-9H2,1-2H3
InChIKeyNLSUWXQPJSDACR-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.41
Rot. Bonds5

About 1-(4-ethoxypiperidin-1-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one

1-(4-ethoxypiperidin-1-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one (PubChem CID 71931485) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-(4-ethoxypiperidin-1-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-ethoxypiperidin-1-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one
PubChem CID71931485
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-(4-ethoxypiperidin-1-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one
SMILESCCOC1CCN(C(=O)CCc2csc(C)n2)CC1
InChIInChI=1S/C14H22N2O2S/c1-3-18-13-6-8-16(9-7-13)14(17)5-4-12-10-19-11(2)15-12/h10,13H,3-9H2,1-2H3
InChIKeyNLSUWXQPJSDACR-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxypiperidin-1-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one?
The IUPAC name of 1-(4-ethoxypiperidin-1-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one (CID 71931485) is 1-(4-ethoxypiperidin-1-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one.
What is the SMILES notation for 1-(4-ethoxypiperidin-1-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one?
The canonical SMILES for 1-(4-ethoxypiperidin-1-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one is CCOC1CCN(C(=O)CCc2csc(C)n2)CC1.
What is the InChIKey of 1-(4-ethoxypiperidin-1-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one?
The InChIKey is NLSUWXQPJSDACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-18-13-6-8-16(9-7-13)14(17)5-4-12-10-19-11(2)15-12/h10,13H,3-9H2,1-2H3.
What are the key properties of 1-(4-ethoxypiperidin-1-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one?
1-(4-ethoxypiperidin-1-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one has a molecular weight of 282.41 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxypiperidin-1-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one is sourced from PubChem (CID 71931485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).