1-(5-ethylthiophene-2-carbonyl)piperidine-3-carboxylic acid

C13H17NO3S — CID 43355865

IUPAC1-(5-ethylthiophene-2-carbonyl)piperidine-3-carboxylic acid
SMILESCCc1ccc(C(=O)N2CCCC(C(=O)O)C2)s1
InChIInChI=1S/C13H17NO3S/c1-2-10-5-6-11(18-10)12(15)14-7-3-4-9(8-14)13(16)17/h5-6,9H,2-4,7-8H2,1H3,(H,16,17)
InChIKeyXOXLDGXDBIGVPE-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.25
Rot. Bonds3

About 1-(5-ethylthiophene-2-carbonyl)piperidine-3-carboxylic acid

1-(5-ethylthiophene-2-carbonyl)piperidine-3-carboxylic acid (PubChem CID 43355865) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 1-(5-ethylthiophene-2-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-ethylthiophene-2-carbonyl)piperidine-3-carboxylic acid
PubChem CID43355865
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name1-(5-ethylthiophene-2-carbonyl)piperidine-3-carboxylic acid
SMILESCCc1ccc(C(=O)N2CCCC(C(=O)O)C2)s1
InChIInChI=1S/C13H17NO3S/c1-2-10-5-6-11(18-10)12(15)14-7-3-4-9(8-14)13(16)17/h5-6,9H,2-4,7-8H2,1H3,(H,16,17)
InChIKeyXOXLDGXDBIGVPE-UHFFFAOYSA-N
XLogP2.25
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-(5-ethylthiophene-2-carbonyl)piperidine-3-carboxylate
CID 43409448
(5-ethylthiophen-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224288
1-(5-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 18072986
(3-aminopyrrolidin-1-yl)-(5-ethylthiophen-2-yl)methanone
CID 62067194
(5-ethylthiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900661
(5-ethylthiophen-2-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627456
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-ethylthiophen-2-yl)methanone
CID 114960404
(5-ethylthiophen-2-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 113340498
(5-ethylthiophen-2-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 95381708
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
(2,6-dimethylmorpholin-4-yl)-(5-ethylthiophen-2-yl)methanone
CID 25237007
2-[4-(5-ethylthiophene-2-carbonyl)morpholin-2-yl]acetic acid
CID 66421949

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophene-2-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(5-ethylthiophene-2-carbonyl)piperidine-3-carboxylic acid (CID 43355865) is 1-(5-ethylthiophene-2-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-ethylthiophene-2-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(5-ethylthiophene-2-carbonyl)piperidine-3-carboxylic acid is CCc1ccc(C(=O)N2CCCC(C(=O)O)C2)s1.
What is the InChIKey of 1-(5-ethylthiophene-2-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is XOXLDGXDBIGVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-2-10-5-6-11(18-10)12(15)14-7-3-4-9(8-14)13(16)17/h5-6,9H,2-4,7-8H2,1H3,(H,16,17).
What are the key properties of 1-(5-ethylthiophene-2-carbonyl)piperidine-3-carboxylic acid?
1-(5-ethylthiophene-2-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 267.35 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophene-2-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 43355865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).