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

C14H20N2O3S — CID 115615942

IUPAC1-tert-butyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxopiperidine-3-carboxylic acid
SMILESCc1nc(C2C(C(=O)O)CCC(=O)N2C(C)(C)C)cs1
InChIInChI=1S/C14H20N2O3S/c1-8-15-10(7-20-8)12-9(13(18)19)5-6-11(17)16(12)14(2,3)4/h7,9,12H,5-6H2,1-4H3,(H,18,19)
InChIKeyVDPHJXCWASKPIP-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.61
Rot. Bonds2

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

1-tert-butyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxopiperidine-3-carboxylic acid (PubChem CID 115615942) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 1-tert-butyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-tert-butyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxopiperidine-3-carboxylic acid
PubChem CID115615942
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name1-tert-butyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxopiperidine-3-carboxylic acid
SMILESCc1nc(C2C(C(=O)O)CCC(=O)N2C(C)(C)C)cs1
InChIInChI=1S/C14H20N2O3S/c1-8-15-10(7-20-8)12-9(13(18)19)5-6-11(17)16(12)14(2,3)4/h7,9,12H,5-6H2,1-4H3,(H,18,19)
InChIKeyVDPHJXCWASKPIP-UHFFFAOYSA-N
XLogP2.61
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-6-oxo-2-pyridin-2-ylpiperidine-3-carboxylic acid
CID 63379159
1-tert-butyl-5-oxo-2-pyridin-2-ylpyrrolidine-3-carboxylic acid
CID 63379392
1-(2-methoxyethyl)-2-(4-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxylic acid
CID 104771708
1-tert-butyl-2-(1,3-dimethylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 83094867
cis-(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 122066037
(4R,5R)-4-amino-5-(2-methyl-1,3-thiazol-4-yl)-1-propan-2-ylpyrrolidin-2-one
CID 178196647
4-[4-(2-methyl-1,3-thiazol-4-yl)piperidin-2-yl]benzoic acid
CID 175978484
6-oxo-1-propan-2-yl-2-(1,3-thiazol-5-yl)piperidine-3-carboxylic acid
CID 113373137
1-cyclopropyl-2-(5-methylthiophen-2-yl)-6-oxopiperidine-3-carboxylic acid
CID 63379529
(2R,3R)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 7127617
2-methyl-1-[3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]pyrrolidine-3-carboxylic acid
CID 79363987
2-(4-methyl-1,3-thiazol-2-yl)-7-oxo-1-propylazepane-3-carboxylic acid
CID 104771717

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of 1-tert-butyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxopiperidine-3-carboxylic acid (CID 115615942) is 1-tert-butyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for 1-tert-butyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for 1-tert-butyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxopiperidine-3-carboxylic acid is Cc1nc(C2C(C(=O)O)CCC(=O)N2C(C)(C)C)cs1.
What is the InChIKey of 1-tert-butyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxopiperidine-3-carboxylic acid?
The InChIKey is VDPHJXCWASKPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-8-15-10(7-20-8)12-9(13(18)19)5-6-11(17)16(12)14(2,3)4/h7,9,12H,5-6H2,1-4H3,(H,18,19).
What are the key properties of 1-tert-butyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxopiperidine-3-carboxylic acid?
1-tert-butyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxopiperidine-3-carboxylic acid has a molecular weight of 296.39 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 115615942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).