4-ethyl-1-(4-thiophen-2-ylbutanoyl)piperidine-4-carboxylic acid

C16H23NO3S — CID 63124753

IUPAC4-ethyl-1-(4-thiophen-2-ylbutanoyl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)CCCc2cccs2)CC1
InChIInChI=1S/C16H23NO3S/c1-2-16(15(19)20)8-10-17(11-9-16)14(18)7-3-5-13-6-4-12-21-13/h4,6,12H,2-3,5,7-11H2,1H3,(H,19,20)
InChIKeyCRTWJSCQGUFIBD-UHFFFAOYSA-N
MW309.43 g/mol
LogP3.17
Rot. Bonds6

About 4-ethyl-1-(4-thiophen-2-ylbutanoyl)piperidine-4-carboxylic acid

4-ethyl-1-(4-thiophen-2-ylbutanoyl)piperidine-4-carboxylic acid (PubChem CID 63124753) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is 4-ethyl-1-(4-thiophen-2-ylbutanoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(4-thiophen-2-ylbutanoyl)piperidine-4-carboxylic acid
PubChem CID63124753
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Name4-ethyl-1-(4-thiophen-2-ylbutanoyl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)CCCc2cccs2)CC1
InChIInChI=1S/C16H23NO3S/c1-2-16(15(19)20)8-10-17(11-9-16)14(18)7-3-5-13-6-4-12-21-13/h4,6,12H,2-3,5,7-11H2,1H3,(H,19,20)
InChIKeyCRTWJSCQGUFIBD-UHFFFAOYSA-N
XLogP3.17
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-1-(4-thiophen-2-ylbutanoyl)piperidine-4-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-(4-hydroxy-4-methylpiperidin-1-yl)-4-thiophen-2-ylbutan-1-one
CID 80706917
3-methyl-1-(4-thiophen-2-ylbutanoyl)pyrrolidine-3-carboxylic acid
CID 63146335
3-ethyl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxylic acid
CID 63134703
1-[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 72849026
4-ethyl-1-(2-thiophen-2-ylsulfanylacetyl)piperidine-4-carboxylic acid
CID 63125405
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 120807749
ethyl 4-(5-thiophen-2-ylpentanoyl)piperazine-1-carboxylate
CID 110297724
1-(4-benzylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one
CID 78774501
2-oxo-N-propan-2-yl-2-[4-(4-thiophen-2-ylbutanoyl)piperazin-1-yl]acetamide
CID 51305589
1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 95355874
1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]-5-thiophen-2-ylpentan-1-one
CID 110617956
1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-5-thiophen-2-ylpentan-1-one
CID 110420377

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(4-thiophen-2-ylbutanoyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-(4-thiophen-2-ylbutanoyl)piperidine-4-carboxylic acid (CID 63124753) is 4-ethyl-1-(4-thiophen-2-ylbutanoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(4-thiophen-2-ylbutanoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(4-thiophen-2-ylbutanoyl)piperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)CCCc2cccs2)CC1.
What is the InChIKey of 4-ethyl-1-(4-thiophen-2-ylbutanoyl)piperidine-4-carboxylic acid?
The InChIKey is CRTWJSCQGUFIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-2-16(15(19)20)8-10-17(11-9-16)14(18)7-3-5-13-6-4-12-21-13/h4,6,12H,2-3,5,7-11H2,1H3,(H,19,20).
What are the key properties of 4-ethyl-1-(4-thiophen-2-ylbutanoyl)piperidine-4-carboxylic acid?
4-ethyl-1-(4-thiophen-2-ylbutanoyl)piperidine-4-carboxylic acid has a molecular weight of 309.43 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(4-thiophen-2-ylbutanoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 63124753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).