[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate

C21H26N2O4S — CID 8824748

IUPAC[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCC[C@@H]1CCCCN1C(=O)COC(=O)c1sc(-c2ccc(OC)cc2)nc1C
InChIInChI=1S/C21H26N2O4S/c1-4-16-7-5-6-12-23(16)18(24)13-27-21(25)19-14(2)22-20(28-19)15-8-10-17(26-3)11-9-15/h8-11,16H,4-7,12-13H2,1-3H3/t16-/m1/s1
InChIKeyCUZJKXZEWCWZHN-MRXNPFEDSA-N
MW402.52 g/mol
LogP4.08
Rot. Bonds6

About [2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate

[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 8824748) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is [2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID8824748
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCC[C@@H]1CCCCN1C(=O)COC(=O)c1sc(-c2ccc(OC)cc2)nc1C
InChIInChI=1S/C21H26N2O4S/c1-4-16-7-5-6-12-23(16)18(24)13-27-21(25)19-14(2)22-20(28-19)15-8-10-17(26-3)11-9-15/h8-11,16H,4-7,12-13H2,1-3H3/t16-/m1/s1
InChIKeyCUZJKXZEWCWZHN-MRXNPFEDSA-N
XLogP4.08
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-methoxybenzoate
CID 2371514
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8513208
[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8647471
[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8647496
[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 8617484
1-(2-ethylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 78762202
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8824834
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 8824278
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133637
2-[4-[(2-ethylpiperidin-1-yl)methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82032323
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8824857
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8824842

Frequently Asked Questions

What is the IUPAC name of [2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of [2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate (CID 8824748) is [2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for [2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for [2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate is CC[C@@H]1CCCCN1C(=O)COC(=O)c1sc(-c2ccc(OC)cc2)nc1C.
What is the InChIKey of [2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is CUZJKXZEWCWZHN-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-4-16-7-5-6-12-23(16)18(24)13-27-21(25)19-14(2)22-20(28-19)15-8-10-17(26-3)11-9-15/h8-11,16H,4-7,12-13H2,1-3H3/t16-/m1/s1.
What are the key properties of [2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate?
[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 402.52 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 8824748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).