3-[1-[1-(1,3-thiazol-4-yl)ethyl]piperidin-4-yl]oxypropanoic acid

C13H20N2O3S — CID 113487066

IUPAC3-[1-[1-(1,3-thiazol-4-yl)ethyl]piperidin-4-yl]oxypropanoic acid
SMILESCC(c1cscn1)N1CCC(OCCC(=O)O)CC1
InChIInChI=1S/C13H20N2O3S/c1-10(12-8-19-9-14-12)15-5-2-11(3-6-15)18-7-4-13(16)17/h8-11H,2-7H2,1H3,(H,16,17)
InChIKeyMZTOKWKMQQXIQJ-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.16
Rot. Bonds6

About 3-[1-[1-(1,3-thiazol-4-yl)ethyl]piperidin-4-yl]oxypropanoic acid

3-[1-[1-(1,3-thiazol-4-yl)ethyl]piperidin-4-yl]oxypropanoic acid (PubChem CID 113487066) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 3-[1-[1-(1,3-thiazol-4-yl)ethyl]piperidin-4-yl]oxypropanoic acid.

Molecular Properties

Compound Name3-[1-[1-(1,3-thiazol-4-yl)ethyl]piperidin-4-yl]oxypropanoic acid
PubChem CID113487066
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name3-[1-[1-(1,3-thiazol-4-yl)ethyl]piperidin-4-yl]oxypropanoic acid
SMILESCC(c1cscn1)N1CCC(OCCC(=O)O)CC1
InChIInChI=1S/C13H20N2O3S/c1-10(12-8-19-9-14-12)15-5-2-11(3-6-15)18-7-4-13(16)17/h8-11H,2-7H2,1H3,(H,16,17)
InChIKeyMZTOKWKMQQXIQJ-UHFFFAOYSA-N
XLogP2.16
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-[1-(5-methylthiophen-2-yl)ethyl]piperidin-4-yl]oxypropanoic acid
CID 65065819
3-[1-(1,3-thiazol-4-ylmethylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 63876641
3-[1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-4-yl]oxypropanoic acid
CID 65065533
3-[1-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-yl]oxypropanoic acid
CID 65065534
3-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]oxypropanoic acid
CID 63904958
3-[1-(2-methylpropylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 63877301
3-[1-(1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxypropanoic acid
CID 65270159
2-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-4-yl]oxyacetic acid
CID 65065474
3-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]oxypropanoic acid
CID 63904751
3-[1-(4-chloro-1,3-thiazol-2-yl)piperidin-4-yl]oxypropanoic acid
CID 83152133
4-(2-carboxyethoxy)piperidine-1-carboxylic acid
CID 154257989
3-[1-(2-methylpropoxycarbonyl)piperidin-4-yl]oxypropanoic acid
CID 55251756

Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(1,3-thiazol-4-yl)ethyl]piperidin-4-yl]oxypropanoic acid?
The IUPAC name of 3-[1-[1-(1,3-thiazol-4-yl)ethyl]piperidin-4-yl]oxypropanoic acid (CID 113487066) is 3-[1-[1-(1,3-thiazol-4-yl)ethyl]piperidin-4-yl]oxypropanoic acid.
What is the SMILES notation for 3-[1-[1-(1,3-thiazol-4-yl)ethyl]piperidin-4-yl]oxypropanoic acid?
The canonical SMILES for 3-[1-[1-(1,3-thiazol-4-yl)ethyl]piperidin-4-yl]oxypropanoic acid is CC(c1cscn1)N1CCC(OCCC(=O)O)CC1.
What is the InChIKey of 3-[1-[1-(1,3-thiazol-4-yl)ethyl]piperidin-4-yl]oxypropanoic acid?
The InChIKey is MZTOKWKMQQXIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10(12-8-19-9-14-12)15-5-2-11(3-6-15)18-7-4-13(16)17/h8-11H,2-7H2,1H3,(H,16,17).
What are the key properties of 3-[1-[1-(1,3-thiazol-4-yl)ethyl]piperidin-4-yl]oxypropanoic acid?
3-[1-[1-(1,3-thiazol-4-yl)ethyl]piperidin-4-yl]oxypropanoic acid has a molecular weight of 284.38 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(1,3-thiazol-4-yl)ethyl]piperidin-4-yl]oxypropanoic acid is sourced from PubChem (CID 113487066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).