[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate

C20H22N2O6S — CID 9135397

IUPAC[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)COC(=O)c2csc(-c3ccc(OC)cc3)n2)CC1
InChIInChI=1S/C20H22N2O6S/c1-26-15-5-3-13(4-6-15)18-21-16(12-29-18)20(25)28-11-17(23)22-9-7-14(8-10-22)19(24)27-2/h3-6,12,14H,7-11H2,1-2H3
InChIKeyQDJSLRHJTUJANR-UHFFFAOYSA-N
MW418.47 g/mol
LogP2.39
Rot. Bonds6

About [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate

[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate (PubChem CID 9135397) has the molecular formula C20H22N2O6S and a molecular weight of 418.47 g/mol. Its IUPAC name is [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
PubChem CID9135397
Molecular FormulaC20H22N2O6S
Molecular Weight418.47 g/mol
Exact Mass418.12
IUPAC Name[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)COC(=O)c2csc(-c3ccc(OC)cc3)n2)CC1
InChIInChI=1S/C20H22N2O6S/c1-26-15-5-3-13(4-6-15)18-21-16(12-29-18)20(25)28-11-17(23)22-9-7-14(8-10-22)19(24)27-2/h3-6,12,14H,7-11H2,1-2H3
InChIKeyQDJSLRHJTUJANR-UHFFFAOYSA-N
XLogP2.39
TPSA95.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 55406381
(2-oxo-2-piperidin-1-ylethyl) 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 33118572
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9135419
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 26643733
[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9136111
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 8837945
[2-oxo-2-(prop-2-ynylamino)ethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9136069
[2-(azocan-1-yl)-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 18122805
[4-(ethylaminomethyl)piperidin-1-yl]-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanone
CID 119644862
methyl 1-[2-(1-benzyltriazole-4-carbonyl)oxyacetyl]piperidine-4-carboxylate
CID 55640680
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 8824278
[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 11936923

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate (CID 9135397) is [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate is COC(=O)C1CCN(C(=O)COC(=O)c2csc(-c3ccc(OC)cc3)n2)CC1.
What is the InChIKey of [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is QDJSLRHJTUJANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6S/c1-26-15-5-3-13(4-6-15)18-21-16(12-29-18)20(25)28-11-17(23)22-9-7-14(8-10-22)19(24)27-2/h3-6,12,14H,7-11H2,1-2H3.
What are the key properties of [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate?
[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 418.47 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 9135397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).