3-ethyl-1-(thiophen-3-ylcarbamoyl)piperidine-3-carboxylic acid

C13H18N2O3S — CID 66356081

IUPAC3-ethyl-1-(thiophen-3-ylcarbamoyl)piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)Nc2ccsc2)C1
InChIInChI=1S/C13H18N2O3S/c1-2-13(11(16)17)5-3-6-15(9-13)12(18)14-10-4-7-19-8-10/h4,7-8H,2-3,5-6,9H2,1H3,(H,14,18)(H,16,17)
InChIKeyWZMDDXIYGQYHPA-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.86
Rot. Bonds3

About 3-ethyl-1-(thiophen-3-ylcarbamoyl)piperidine-3-carboxylic acid

3-ethyl-1-(thiophen-3-ylcarbamoyl)piperidine-3-carboxylic acid (PubChem CID 66356081) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 3-ethyl-1-(thiophen-3-ylcarbamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(thiophen-3-ylcarbamoyl)piperidine-3-carboxylic acid
PubChem CID66356081
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name3-ethyl-1-(thiophen-3-ylcarbamoyl)piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)Nc2ccsc2)C1
InChIInChI=1S/C13H18N2O3S/c1-2-13(11(16)17)5-3-6-15(9-13)12(18)14-10-4-7-19-8-10/h4,7-8H,2-3,5-6,9H2,1H3,(H,14,18)(H,16,17)
InChIKeyWZMDDXIYGQYHPA-UHFFFAOYSA-N
XLogP2.86
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-1-(thiophen-3-ylcarbamoyl)piperidine-3-carboxylic 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

1-(benzylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid
CID 63138228
1-[(3-chlorophenyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63145655
3-ethyl-1-[(3-fluorophenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63145789
3-ethyl-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 55164529
3-ethyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 63829635
1-(cyclopentylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid
CID 55165112
3-ethyl-1-methoxycarbonylpiperidine-3-carboxylic acid
CID 63135585
(3R)-3-ethyl-1-(2-methylsulfanylacetyl)piperidine-3-carboxylic acid
CID 95017438
3-ethyl-1-(4-methylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 63136060
3-ethyl-1-(2-methylsulfanylethylcarbamoyl)piperidine-3-carboxylic acid
CID 63960365
1-(3-aminopropylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid
CID 63137242
3-ethyl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxylic acid
CID 63134703

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(thiophen-3-ylcarbamoyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(thiophen-3-ylcarbamoyl)piperidine-3-carboxylic acid (CID 66356081) is 3-ethyl-1-(thiophen-3-ylcarbamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(thiophen-3-ylcarbamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(thiophen-3-ylcarbamoyl)piperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(C(=O)Nc2ccsc2)C1.
What is the InChIKey of 3-ethyl-1-(thiophen-3-ylcarbamoyl)piperidine-3-carboxylic acid?
The InChIKey is WZMDDXIYGQYHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-2-13(11(16)17)5-3-6-15(9-13)12(18)14-10-4-7-19-8-10/h4,7-8H,2-3,5-6,9H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 3-ethyl-1-(thiophen-3-ylcarbamoyl)piperidine-3-carboxylic acid?
3-ethyl-1-(thiophen-3-ylcarbamoyl)piperidine-3-carboxylic acid has a molecular weight of 282.36 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(thiophen-3-ylcarbamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 66356081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).