6-oxo-1-propan-2-yl-2-(1,3-thiazol-5-yl)piperidine-3-carboxylic acid

C12H16N2O3S — CID 113373137

IUPAC6-oxo-1-propan-2-yl-2-(1,3-thiazol-5-yl)piperidine-3-carboxylic acid
SMILESCC(C)N1C(=O)CCC(C(=O)O)C1c1cncs1
InChIInChI=1S/C12H16N2O3S/c1-7(2)14-10(15)4-3-8(12(16)17)11(14)9-5-13-6-18-9/h5-8,11H,3-4H2,1-2H3,(H,16,17)
InChIKeyZVORIRWXWUPQRP-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.92
Rot. Bonds3

About 6-oxo-1-propan-2-yl-2-(1,3-thiazol-5-yl)piperidine-3-carboxylic acid

6-oxo-1-propan-2-yl-2-(1,3-thiazol-5-yl)piperidine-3-carboxylic acid (PubChem CID 113373137) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 6-oxo-1-propan-2-yl-2-(1,3-thiazol-5-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name6-oxo-1-propan-2-yl-2-(1,3-thiazol-5-yl)piperidine-3-carboxylic acid
PubChem CID113373137
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name6-oxo-1-propan-2-yl-2-(1,3-thiazol-5-yl)piperidine-3-carboxylic acid
SMILESCC(C)N1C(=O)CCC(C(=O)O)C1c1cncs1
InChIInChI=1S/C12H16N2O3S/c1-7(2)14-10(15)4-3-8(12(16)17)11(14)9-5-13-6-18-9/h5-8,11H,3-4H2,1-2H3,(H,16,17)
InChIKeyZVORIRWXWUPQRP-UHFFFAOYSA-N
XLogP1.92
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromothiophen-2-yl)-6-oxo-1-propan-2-ylpiperidine-3-carboxylic acid
CID 63379605
2-(3-chloro-4-fluorophenyl)-6-oxo-1-propan-2-ylpiperidine-3-carboxylic acid
CID 81160397
(2S,3S)-1-(3-methylbutyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxylic acid
CID 95291481
(2R,3R)-6-oxo-1-(2-pyridin-3-ylethyl)-2-thiophen-2-ylpiperidine-3-carboxylic acid
CID 95318032
2-(2-cyclopropylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 79972285
(2R,3S)-5-oxo-1-propan-2-yl-2-pyridin-2-ylpyrrolidine-3-carboxylic acid
CID 51970559
1-cyclopropyl-2-(5-methylthiophen-2-yl)-6-oxopiperidine-3-carboxylic acid
CID 63379529
methyl (2R)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxylate
CID 124604356
1-tert-butyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxopiperidine-3-carboxylic acid
CID 115615942
4-oxo-1-propan-2-ylazetidine-2-carboxylic acid
CID 84650541
6-(1,3-thiazol-5-yl)piperidine-2-carboxylic acid
CID 164650985
1-butan-2-yl-5-oxopyrrolidine-2-carboxylic acid
CID 6624620

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-propan-2-yl-2-(1,3-thiazol-5-yl)piperidine-3-carboxylic acid?
The IUPAC name of 6-oxo-1-propan-2-yl-2-(1,3-thiazol-5-yl)piperidine-3-carboxylic acid (CID 113373137) is 6-oxo-1-propan-2-yl-2-(1,3-thiazol-5-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 6-oxo-1-propan-2-yl-2-(1,3-thiazol-5-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 6-oxo-1-propan-2-yl-2-(1,3-thiazol-5-yl)piperidine-3-carboxylic acid is CC(C)N1C(=O)CCC(C(=O)O)C1c1cncs1.
What is the InChIKey of 6-oxo-1-propan-2-yl-2-(1,3-thiazol-5-yl)piperidine-3-carboxylic acid?
The InChIKey is ZVORIRWXWUPQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-7(2)14-10(15)4-3-8(12(16)17)11(14)9-5-13-6-18-9/h5-8,11H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 6-oxo-1-propan-2-yl-2-(1,3-thiazol-5-yl)piperidine-3-carboxylic acid?
6-oxo-1-propan-2-yl-2-(1,3-thiazol-5-yl)piperidine-3-carboxylic acid has a molecular weight of 268.34 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-propan-2-yl-2-(1,3-thiazol-5-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 113373137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).