2-(4-methoxycarbonylpiperidin-1-yl)-2-thiophen-3-ylacetic acid

C13H17NO4S — CID 84749119

IUPAC2-(4-methoxycarbonylpiperidin-1-yl)-2-thiophen-3-ylacetic acid
SMILESCOC(=O)C1CCN(C(C(=O)O)c2ccsc2)CC1
InChIInChI=1S/C13H17NO4S/c1-18-13(17)9-2-5-14(6-3-9)11(12(15)16)10-4-7-19-8-10/h4,7-9,11H,2-3,5-6H2,1H3,(H,15,16)
InChIKeyFOMGXVVVYKDGFG-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.76
Rot. Bonds4

About 2-(4-methoxycarbonylpiperidin-1-yl)-2-thiophen-3-ylacetic acid

2-(4-methoxycarbonylpiperidin-1-yl)-2-thiophen-3-ylacetic acid (PubChem CID 84749119) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-(4-methoxycarbonylpiperidin-1-yl)-2-thiophen-3-ylacetic acid.

Molecular Properties

Compound Name2-(4-methoxycarbonylpiperidin-1-yl)-2-thiophen-3-ylacetic acid
PubChem CID84749119
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name2-(4-methoxycarbonylpiperidin-1-yl)-2-thiophen-3-ylacetic acid
SMILESCOC(=O)C1CCN(C(C(=O)O)c2ccsc2)CC1
InChIInChI=1S/C13H17NO4S/c1-18-13(17)9-2-5-14(6-3-9)11(12(15)16)10-4-7-19-8-10/h4,7-9,11H,2-3,5-6H2,1H3,(H,15,16)
InChIKeyFOMGXVVVYKDGFG-UHFFFAOYSA-N
XLogP1.76
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-methoxycarbonylpiperidin-1-yl)-2-thiophen-3-ylacetic 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

(2R)-2-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-2-thiophen-3-ylacetic acid
CID 124928954
2-(4-cyclopropylsulfonylpiperazin-1-yl)-2-thiophen-3-ylacetic acid
CID 136555489
2-(4-pyridin-3-yloxypiperidin-1-yl)-2-thiophen-3-ylacetic acid
CID 72905100
(2R)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylacetic acid
CID 164642362
methyl 2-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-2-thiophen-3-ylacetate
CID 119036739
methyl 1-(thiophen-3-ylmethyl)piperidine-4-carboxylate
CID 62027274
2-[4-[(4-ethyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-2-thiophen-3-ylacetic acid
CID 136551426
2-[4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidin-1-yl]-2-thiophen-3-ylacetic acid
CID 69143254
2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-2-thiophen-3-ylacetic acid
CID 72919090
2-[4-(4-fluoro-3-methoxyphenyl)piperazin-1-yl]-2-thiophen-3-ylacetic acid
CID 167743043
2-[(3aR,5R,7aS)-5-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-thiophen-3-ylacetic acid
CID 138032676
1-[(2,3-dimethoxyphenyl)-thiophen-3-ylmethyl]piperidine-4-carboxylic acid
CID 3634513

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxycarbonylpiperidin-1-yl)-2-thiophen-3-ylacetic acid?
The IUPAC name of 2-(4-methoxycarbonylpiperidin-1-yl)-2-thiophen-3-ylacetic acid (CID 84749119) is 2-(4-methoxycarbonylpiperidin-1-yl)-2-thiophen-3-ylacetic acid.
What is the SMILES notation for 2-(4-methoxycarbonylpiperidin-1-yl)-2-thiophen-3-ylacetic acid?
The canonical SMILES for 2-(4-methoxycarbonylpiperidin-1-yl)-2-thiophen-3-ylacetic acid is COC(=O)C1CCN(C(C(=O)O)c2ccsc2)CC1.
What is the InChIKey of 2-(4-methoxycarbonylpiperidin-1-yl)-2-thiophen-3-ylacetic acid?
The InChIKey is FOMGXVVVYKDGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-18-13(17)9-2-5-14(6-3-9)11(12(15)16)10-4-7-19-8-10/h4,7-9,11H,2-3,5-6H2,1H3,(H,15,16).
What are the key properties of 2-(4-methoxycarbonylpiperidin-1-yl)-2-thiophen-3-ylacetic acid?
2-(4-methoxycarbonylpiperidin-1-yl)-2-thiophen-3-ylacetic acid has a molecular weight of 283.35 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxycarbonylpiperidin-1-yl)-2-thiophen-3-ylacetic acid is sourced from PubChem (CID 84749119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).