1-(2-methoxyethyl)-2-(4-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxylic acid

C13H18N2O4S — CID 104771708

IUPAC1-(2-methoxyethyl)-2-(4-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxylic acid
SMILESCOCCN1C(=O)CCC(C(=O)O)C1c1nc(C)cs1
InChIInChI=1S/C13H18N2O4S/c1-8-7-20-12(14-8)11-9(13(17)18)3-4-10(16)15(11)5-6-19-2/h7,9,11H,3-6H2,1-2H3,(H,17,18)
InChIKeyGXLVFFGAFOTRMZ-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.46
Rot. Bonds5

About 1-(2-methoxyethyl)-2-(4-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxylic acid

1-(2-methoxyethyl)-2-(4-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxylic acid (PubChem CID 104771708) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-(4-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-(4-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxylic acid
PubChem CID104771708
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name1-(2-methoxyethyl)-2-(4-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxylic acid
SMILESCOCCN1C(=O)CCC(C(=O)O)C1c1nc(C)cs1
InChIInChI=1S/C13H18N2O4S/c1-8-7-20-12(14-8)11-9(13(17)18)3-4-10(16)15(11)5-6-19-2/h7,9,11H,3-6H2,1-2H3,(H,17,18)
InChIKeyGXLVFFGAFOTRMZ-UHFFFAOYSA-N
XLogP1.46
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methyl-1,3-thiazol-2-yl)-7-oxo-1-propylazepane-3-carboxylic acid
CID 104771717
(2S,3R)-2-(4-cyanophenyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylic acid
CID 95300167
(2S,3S)-1-(2-methoxyethyl)-6-oxo-2-[2-(trifluoromethyl)phenyl]piperidine-3-carboxylic acid
CID 95276734
(2R,3R)-2-(2-ethoxyphenyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylic acid
CID 16765267
(2S,3S)-2-(1-benzothiophen-3-yl)-1-(3-methoxypropyl)-6-oxopiperidine-3-carboxylic acid
CID 95281291
(2R,3S)-2-(1-benzothiophen-3-yl)-1-(3-methoxypropyl)-6-oxopiperidine-3-carboxylic acid
CID 95281292
(2S,3R)-2-(3-fluorophenyl)-1-(3-methoxypropyl)-6-oxopiperidine-3-carboxylic acid
CID 95291406
(2R,3S)-2-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-methoxypropyl)-6-oxopiperidine-3-carboxylic acid
CID 95291445
1-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-2-one
CID 141271685
N-cyclopropyl-1-(2-methoxyethyl)-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 171143816
2-(6-methyl-3-pyridinyl)-6-oxo-1-propylpiperidine-3-carboxylic acid
CID 104823678
2-(1,3-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 83095058

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-(4-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of 1-(2-methoxyethyl)-2-(4-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxylic acid (CID 104771708) is 1-(2-methoxyethyl)-2-(4-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methoxyethyl)-2-(4-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-methoxyethyl)-2-(4-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxylic acid is COCCN1C(=O)CCC(C(=O)O)C1c1nc(C)cs1.
What is the InChIKey of 1-(2-methoxyethyl)-2-(4-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxylic acid?
The InChIKey is GXLVFFGAFOTRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-8-7-20-12(14-8)11-9(13(17)18)3-4-10(16)15(11)5-6-19-2/h7,9,11H,3-6H2,1-2H3,(H,17,18).
What are the key properties of 1-(2-methoxyethyl)-2-(4-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxylic acid?
1-(2-methoxyethyl)-2-(4-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxylic acid has a molecular weight of 298.36 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-(4-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 104771708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).