3-ethyl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxylic acid

C15H21NO3S — CID 63134703

IUPAC3-ethyl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)CCc2cccs2)C1
InChIInChI=1S/C15H21NO3S/c1-2-15(14(18)19)8-4-9-16(11-15)13(17)7-6-12-5-3-10-20-12/h3,5,10H,2,4,6-9,11H2,1H3,(H,18,19)
InChIKeyJUMPPBFRXBTZAY-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.78
Rot. Bonds5

About 3-ethyl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxylic acid

3-ethyl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxylic acid (PubChem CID 63134703) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is 3-ethyl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxylic acid
PubChem CID63134703
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name3-ethyl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)CCc2cccs2)C1
InChIInChI=1S/C15H21NO3S/c1-2-15(14(18)19)8-4-9-16(11-15)13(17)7-6-12-5-3-10-20-12/h3,5,10H,2,4,6-9,11H2,1H3,(H,18,19)
InChIKeyJUMPPBFRXBTZAY-UHFFFAOYSA-N
XLogP2.78
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-1-(4-thiophen-2-ylbutanoyl)piperidine-4-carboxylic acid
CID 63124753
3-ethyl-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 55164529
2-ethyl-1-(3-thiophen-2-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 83075965
(3S)-3-ethyl-1-[3-(3-methoxyphenyl)propanoyl]piperidine-3-carboxylic acid
CID 97156084
3-ethyl-1-[2-(2-hydroxyphenyl)acetyl]piperidine-3-carboxylic acid
CID 80722620
3-methyl-1-(4-thiophen-2-ylbutanoyl)pyrrolidine-3-carboxylic acid
CID 63146335
(3R)-3-ethyl-1-(2-methylsulfanylacetyl)piperidine-3-carboxylic acid
CID 95017438
1-[2-(2-chlorophenyl)acetyl]-3-ethylpiperidine-3-carboxylic acid
CID 63134129
1-[3-(3-aminophenyl)propanoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 115341444
1-(1,3-oxazolidin-3-yl)-3-thiophen-2-ylpropan-1-one
CID 110740009
1-[2-(3-bromophenyl)acetyl]-3-ethylpiperidine-3-carboxylic acid
CID 63134622
3-propyl-1-(2-thiophen-2-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63145705

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxylic acid (CID 63134703) is 3-ethyl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(C(=O)CCc2cccs2)C1.
What is the InChIKey of 3-ethyl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxylic acid?
The InChIKey is JUMPPBFRXBTZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-2-15(14(18)19)8-4-9-16(11-15)13(17)7-6-12-5-3-10-20-12/h3,5,10H,2,4,6-9,11H2,1H3,(H,18,19).
What are the key properties of 3-ethyl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxylic acid?
3-ethyl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxylic acid has a molecular weight of 295.40 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 63134703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).