3-[2-(4-methoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoic acid

C12H18N2O3S — CID 103486210

IUPAC3-[2-(4-methoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoic acid
SMILESCOC1CCN(c2nc(CCC(=O)O)cs2)CC1
InChIInChI=1S/C12H18N2O3S/c1-17-10-4-6-14(7-5-10)12-13-9(8-18-12)2-3-11(15)16/h8,10H,2-7H2,1H3,(H,15,16)
InChIKeyKZDRBEWJNMJWRQ-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.78
Rot. Bonds5

About 3-[2-(4-methoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoic acid

3-[2-(4-methoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoic acid (PubChem CID 103486210) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 3-[2-(4-methoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(4-methoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoic acid
PubChem CID103486210
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name3-[2-(4-methoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoic acid
SMILESCOC1CCN(c2nc(CCC(=O)O)cs2)CC1
InChIInChI=1S/C12H18N2O3S/c1-17-10-4-6-14(7-5-10)12-13-9(8-18-12)2-3-11(15)16/h8,10H,2-7H2,1H3,(H,15,16)
InChIKeyKZDRBEWJNMJWRQ-UHFFFAOYSA-N
XLogP1.78
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[2-(4-methoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoate
CID 103486208
3-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-1,3-thiazol-4-yl]propanoic acid
CID 103486642
methyl 3-[2-(4-ethoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoate
CID 107040083
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
3-[2-(3,3-dimethylpyrrolidin-1-yl)-1,3-thiazol-4-yl]propanoic acid
CID 103488147
[2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-4-yl]methanamine
CID 103540672
carbon dioxide;4-ethyl-2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole
CID 161487034
3-[2-(2,3-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]propanoic acid
CID 103487248
3-[1-(4-chloro-1,3-thiazol-2-yl)piperidin-4-yl]oxypropanoic acid
CID 83152133
methyl 3-[2-(3-tert-butylpyrrolidin-1-yl)-1,3-thiazol-4-yl]propanoate
CID 107040610
2-(4-methoxypiperidin-1-yl)-1,3-thiazole-4-carbaldehyde
CID 89222120

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoic acid?
The IUPAC name of 3-[2-(4-methoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoic acid (CID 103486210) is 3-[2-(4-methoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[2-(4-methoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoic acid?
The canonical SMILES for 3-[2-(4-methoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoic acid is COC1CCN(c2nc(CCC(=O)O)cs2)CC1.
What is the InChIKey of 3-[2-(4-methoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoic acid?
The InChIKey is KZDRBEWJNMJWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-17-10-4-6-14(7-5-10)12-13-9(8-18-12)2-3-11(15)16/h8,10H,2-7H2,1H3,(H,15,16).
What are the key properties of 3-[2-(4-methoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoic acid?
3-[2-(4-methoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoic acid has a molecular weight of 270.35 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoic acid is sourced from PubChem (CID 103486210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).