3-[1-(4-chloro-1,3-thiazol-2-yl)piperidin-4-yl]oxypropanoic acid

C11H15ClN2O3S — CID 83152133

IUPAC3-[1-(4-chloro-1,3-thiazol-2-yl)piperidin-4-yl]oxypropanoic acid
SMILESO=C(O)CCOC1CCN(c2nc(Cl)cs2)CC1
InChIInChI=1S/C11H15ClN2O3S/c12-9-7-18-11(13-9)14-4-1-8(2-5-14)17-6-3-10(15)16/h7-8H,1-6H2,(H,15,16)
InChIKeyNUCLTRJXISFIKP-UHFFFAOYSA-N
MW290.77 g/mol
LogP2.26
Rot. Bonds5

About 3-[1-(4-chloro-1,3-thiazol-2-yl)piperidin-4-yl]oxypropanoic acid

3-[1-(4-chloro-1,3-thiazol-2-yl)piperidin-4-yl]oxypropanoic acid (PubChem CID 83152133) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is 3-[1-(4-chloro-1,3-thiazol-2-yl)piperidin-4-yl]oxypropanoic acid.

Molecular Properties

Compound Name3-[1-(4-chloro-1,3-thiazol-2-yl)piperidin-4-yl]oxypropanoic acid
PubChem CID83152133
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC Name3-[1-(4-chloro-1,3-thiazol-2-yl)piperidin-4-yl]oxypropanoic acid
SMILESO=C(O)CCOC1CCN(c2nc(Cl)cs2)CC1
InChIInChI=1S/C11H15ClN2O3S/c12-9-7-18-11(13-9)14-4-1-8(2-5-14)17-6-3-10(15)16/h7-8H,1-6H2,(H,15,16)
InChIKeyNUCLTRJXISFIKP-UHFFFAOYSA-N
XLogP2.26
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[1-(4-chloro-1,3-thiazol-2-yl)piperidin-4-yl]oxypropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxypropanoic acid
CID 65270159
3-[2-(4-methoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoic acid
CID 103486210
3-(1-phenylpiperidin-4-yl)oxypropanoic acid
CID 174770729
2-[4-(4-chloro-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetic acid
CID 83152482
4-chloro-2-(3-propoxypiperidin-1-yl)-1,3-thiazole
CID 83156216
3-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]oxypropanoic acid
CID 63904958
3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]oxypropanoic acid
CID 63903233
3-[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]oxypropanoic acid
CID 64830048
3-[1-(thiophene-2-carbonyl)piperidin-4-yl]oxypropanoic acid
CID 63871086
4-(2-carboxyethoxy)piperidine-1-carboxylic acid
CID 154257989
1-(4-chloro-1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid
CID 83152836
3-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]oxypropanoic acid
CID 65065674

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chloro-1,3-thiazol-2-yl)piperidin-4-yl]oxypropanoic acid?
The IUPAC name of 3-[1-(4-chloro-1,3-thiazol-2-yl)piperidin-4-yl]oxypropanoic acid (CID 83152133) is 3-[1-(4-chloro-1,3-thiazol-2-yl)piperidin-4-yl]oxypropanoic acid.
What is the SMILES notation for 3-[1-(4-chloro-1,3-thiazol-2-yl)piperidin-4-yl]oxypropanoic acid?
The canonical SMILES for 3-[1-(4-chloro-1,3-thiazol-2-yl)piperidin-4-yl]oxypropanoic acid is O=C(O)CCOC1CCN(c2nc(Cl)cs2)CC1.
What is the InChIKey of 3-[1-(4-chloro-1,3-thiazol-2-yl)piperidin-4-yl]oxypropanoic acid?
The InChIKey is NUCLTRJXISFIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c12-9-7-18-11(13-9)14-4-1-8(2-5-14)17-6-3-10(15)16/h7-8H,1-6H2,(H,15,16).
What are the key properties of 3-[1-(4-chloro-1,3-thiazol-2-yl)piperidin-4-yl]oxypropanoic acid?
3-[1-(4-chloro-1,3-thiazol-2-yl)piperidin-4-yl]oxypropanoic acid has a molecular weight of 290.77 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chloro-1,3-thiazol-2-yl)piperidin-4-yl]oxypropanoic acid is sourced from PubChem (CID 83152133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).