methyl 3-[2-[4-(methoxymethyl)piperidin-1-yl]-1,3-thiazol-4-yl]propanoate

C14H22N2O3S — CID 107040390

IUPACmethyl 3-[2-[4-(methoxymethyl)piperidin-1-yl]-1,3-thiazol-4-yl]propanoate
SMILESCOCC1CCN(c2nc(CCC(=O)OC)cs2)CC1
InChIInChI=1S/C14H22N2O3S/c1-18-9-11-5-7-16(8-6-11)14-15-12(10-20-14)3-4-13(17)19-2/h10-11H,3-9H2,1-2H3
InChIKeyQQJYLUQAOIPIAP-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.11
Rot. Bonds6

About methyl 3-[2-[4-(methoxymethyl)piperidin-1-yl]-1,3-thiazol-4-yl]propanoate

methyl 3-[2-[4-(methoxymethyl)piperidin-1-yl]-1,3-thiazol-4-yl]propanoate (PubChem CID 107040390) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is methyl 3-[2-[4-(methoxymethyl)piperidin-1-yl]-1,3-thiazol-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-[4-(methoxymethyl)piperidin-1-yl]-1,3-thiazol-4-yl]propanoate
PubChem CID107040390
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Namemethyl 3-[2-[4-(methoxymethyl)piperidin-1-yl]-1,3-thiazol-4-yl]propanoate
SMILESCOCC1CCN(c2nc(CCC(=O)OC)cs2)CC1
InChIInChI=1S/C14H22N2O3S/c1-18-9-11-5-7-16(8-6-11)14-15-12(10-20-14)3-4-13(17)19-2/h10-11H,3-9H2,1-2H3
InChIKeyQQJYLUQAOIPIAP-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[2-(4-ethoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoate
CID 107040083
methyl 3-[2-(3-tert-butylpyrrolidin-1-yl)-1,3-thiazol-4-yl]propanoate
CID 107040610
methyl 3-[2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]propanoate
CID 107040319
ethyl 3-[2-(4-methoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoate
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methyl 2-[2-(4-propylpiperidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 80576933
methyl 3-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3-thiazol-4-yl]propanoate
CID 107040506
3-[2-(4-methoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoic acid
CID 103486210
[2-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-4-yl]methanamine
CID 64581632
3-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-1,3-thiazol-4-yl]propanoic acid
CID 103486642
methyl 3-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1,3-thiazol-4-yl]propanoate
CID 107040545
methyl 3-[2-(2-cyclopropyl-6-methylmorpholin-4-yl)-1,3-thiazol-4-yl]propanoate
CID 154759902
methyl 3-[2-(3-methylthiomorpholin-4-yl)-1,3-thiazol-4-yl]propanoate
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Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[4-(methoxymethyl)piperidin-1-yl]-1,3-thiazol-4-yl]propanoate?
The IUPAC name of methyl 3-[2-[4-(methoxymethyl)piperidin-1-yl]-1,3-thiazol-4-yl]propanoate (CID 107040390) is methyl 3-[2-[4-(methoxymethyl)piperidin-1-yl]-1,3-thiazol-4-yl]propanoate.
What is the SMILES notation for methyl 3-[2-[4-(methoxymethyl)piperidin-1-yl]-1,3-thiazol-4-yl]propanoate?
The canonical SMILES for methyl 3-[2-[4-(methoxymethyl)piperidin-1-yl]-1,3-thiazol-4-yl]propanoate is COCC1CCN(c2nc(CCC(=O)OC)cs2)CC1.
What is the InChIKey of methyl 3-[2-[4-(methoxymethyl)piperidin-1-yl]-1,3-thiazol-4-yl]propanoate?
The InChIKey is QQJYLUQAOIPIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-18-9-11-5-7-16(8-6-11)14-15-12(10-20-14)3-4-13(17)19-2/h10-11H,3-9H2,1-2H3.
What are the key properties of methyl 3-[2-[4-(methoxymethyl)piperidin-1-yl]-1,3-thiazol-4-yl]propanoate?
methyl 3-[2-[4-(methoxymethyl)piperidin-1-yl]-1,3-thiazol-4-yl]propanoate has a molecular weight of 298.41 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[4-(methoxymethyl)piperidin-1-yl]-1,3-thiazol-4-yl]propanoate is sourced from PubChem (CID 107040390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).