ethyl 3-[2-(4-methoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoate

C14H22N2O3S — CID 103486208

IUPACethyl 3-[2-(4-methoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoate
SMILESCCOC(=O)CCc1csc(N2CCC(OC)CC2)n1
InChIInChI=1S/C14H22N2O3S/c1-3-19-13(17)5-4-11-10-20-14(15-11)16-8-6-12(18-2)7-9-16/h10,12H,3-9H2,1-2H3
InChIKeyUFXUFDZWEZROEP-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.25
Rot. Bonds6

About ethyl 3-[2-(4-methoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoate

ethyl 3-[2-(4-methoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoate (PubChem CID 103486208) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is ethyl 3-[2-(4-methoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-(4-methoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoate
PubChem CID103486208
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Nameethyl 3-[2-(4-methoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoate
SMILESCCOC(=O)CCc1csc(N2CCC(OC)CC2)n1
InChIInChI=1S/C14H22N2O3S/c1-3-19-13(17)5-4-11-10-20-14(15-11)16-8-6-12(18-2)7-9-16/h10,12H,3-9H2,1-2H3
InChIKeyUFXUFDZWEZROEP-UHFFFAOYSA-N
XLogP2.25
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(4-methoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoic acid
CID 103486210
methyl 3-[2-(4-ethoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoate
CID 107040083
ethyl 3-[2-(3,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-4-yl]propanoate
CID 103487842
ethyl 3-[2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoate
CID 103487203
ethyl 3-[2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-4-yl]propanoate
CID 103486045
ethyl 3-[2-(4-ethyl-3-methylpiperazin-1-yl)-1,3-thiazol-4-yl]propanoate
CID 103487545
1-(4-methoxypiperidin-1-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one
CID 71931491
methyl 3-[2-[4-(methoxymethyl)piperidin-1-yl]-1,3-thiazol-4-yl]propanoate
CID 107040390
ethyl 3-[2-(2-methylazepan-1-yl)-1,3-thiazol-4-yl]propanoate
CID 103487795
ethyl 3-[2-[2-(hydroxymethyl)morpholin-4-yl]-1,3-thiazol-4-yl]propanoate
CID 103488250
ethyl 3-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-4-yl]propanoate
CID 103487542
ethyl 2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole-4-carboxylate
CID 90291460

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(4-methoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoate?
The IUPAC name of ethyl 3-[2-(4-methoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoate (CID 103486208) is ethyl 3-[2-(4-methoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoate.
What is the SMILES notation for ethyl 3-[2-(4-methoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoate?
The canonical SMILES for ethyl 3-[2-(4-methoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoate is CCOC(=O)CCc1csc(N2CCC(OC)CC2)n1.
What is the InChIKey of ethyl 3-[2-(4-methoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoate?
The InChIKey is UFXUFDZWEZROEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-3-19-13(17)5-4-11-10-20-14(15-11)16-8-6-12(18-2)7-9-16/h10,12H,3-9H2,1-2H3.
What are the key properties of ethyl 3-[2-(4-methoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoate?
ethyl 3-[2-(4-methoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoate has a molecular weight of 298.41 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(4-methoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoate is sourced from PubChem (CID 103486208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).