3-[1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]propanoic acid

C15H24N2O2S — CID 65062393

IUPAC3-[1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]propanoic acid
SMILESCc1nc(C(C)N2CCC(CCC(=O)O)CC2)c(C)s1
InChIInChI=1S/C15H24N2O2S/c1-10(15-11(2)20-12(3)16-15)17-8-6-13(7-9-17)4-5-14(18)19/h10,13H,4-9H2,1-3H3,(H,18,19)
InChIKeyHOCLLCURHXXYBH-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.40
Rot. Bonds5

About 3-[1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]propanoic acid

3-[1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]propanoic acid (PubChem CID 65062393) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-[1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]propanoic acid
PubChem CID65062393
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name3-[1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]propanoic acid
SMILESCc1nc(C(C)N2CCC(CCC(=O)O)CC2)c(C)s1
InChIInChI=1S/C15H24N2O2S/c1-10(15-11(2)20-12(3)16-15)17-8-6-13(7-9-17)4-5-14(18)19/h10,13H,4-9H2,1-3H3,(H,18,19)
InChIKeyHOCLLCURHXXYBH-UHFFFAOYSA-N
XLogP3.40
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]propanoic acid (CID 65062393) is 3-[1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]propanoic acid is Cc1nc(C(C)N2CCC(CCC(=O)O)CC2)c(C)s1.
What is the InChIKey of 3-[1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]propanoic acid?
The InChIKey is HOCLLCURHXXYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-10(15-11(2)20-12(3)16-15)17-8-6-13(7-9-17)4-5-14(18)19/h10,13H,4-9H2,1-3H3,(H,18,19).
What are the key properties of 3-[1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]propanoic acid?
3-[1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]propanoic acid has a molecular weight of 296.44 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]propanoic acid is sourced from PubChem (CID 65062393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).