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

C14H19NO3S — CID 63133849

IUPAC1-(5-ethylthiophene-2-carbonyl)-3-methylpiperidine-3-carboxylic acid
SMILESCCc1ccc(C(=O)N2CCCC(C)(C(=O)O)C2)s1
InChIInChI=1S/C14H19NO3S/c1-3-10-5-6-11(19-10)12(16)15-8-4-7-14(2,9-15)13(17)18/h5-6H,3-4,7-9H2,1-2H3,(H,17,18)
InChIKeyWHKKAFPLPGTYMK-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.64
Rot. Bonds3

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

1-(5-ethylthiophene-2-carbonyl)-3-methylpiperidine-3-carboxylic acid (PubChem CID 63133849) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 1-(5-ethylthiophene-2-carbonyl)-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-ethylthiophene-2-carbonyl)-3-methylpiperidine-3-carboxylic acid
PubChem CID63133849
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name1-(5-ethylthiophene-2-carbonyl)-3-methylpiperidine-3-carboxylic acid
SMILESCCc1ccc(C(=O)N2CCCC(C)(C(=O)O)C2)s1
InChIInChI=1S/C14H19NO3S/c1-3-10-5-6-11(19-10)12(16)15-8-4-7-14(2,9-15)13(17)18/h5-6H,3-4,7-9H2,1-2H3,(H,17,18)
InChIKeyWHKKAFPLPGTYMK-UHFFFAOYSA-N
XLogP2.64
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(5-ethylthiophene-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 95020288
3-methyl-1-(5-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 55164526
(5-ethylthiophen-2-yl)-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]methanone
CID 133119695
1-(5-ethylthiophene-2-carbonyl)-4-methylpiperidine-4-carbothioamide
CID 107160923
3-methyl-1-(thiadiazole-5-carbonyl)piperidine-3-carboxylic acid
CID 55166836
1-(furan-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 63133574
1-(5-ethylthiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 43355865
1-(4-hydroxybenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 55166833
(5-ethylthiophen-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224288
(3S)-1-(2-ethyl-1,3-thiazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 124684594
[4-(2-bromoethyl)-1,4-diazepan-1-yl]-(5-ethylthiophen-2-yl)methanone
CID 80665316
1-[2-(5-bromothiophen-2-yl)ethylcarbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 106040369

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophene-2-carbonyl)-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(5-ethylthiophene-2-carbonyl)-3-methylpiperidine-3-carboxylic acid (CID 63133849) is 1-(5-ethylthiophene-2-carbonyl)-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-ethylthiophene-2-carbonyl)-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(5-ethylthiophene-2-carbonyl)-3-methylpiperidine-3-carboxylic acid is CCc1ccc(C(=O)N2CCCC(C)(C(=O)O)C2)s1.
What is the InChIKey of 1-(5-ethylthiophene-2-carbonyl)-3-methylpiperidine-3-carboxylic acid?
The InChIKey is WHKKAFPLPGTYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-3-10-5-6-11(19-10)12(16)15-8-4-7-14(2,9-15)13(17)18/h5-6H,3-4,7-9H2,1-2H3,(H,17,18).
What are the key properties of 1-(5-ethylthiophene-2-carbonyl)-3-methylpiperidine-3-carboxylic acid?
1-(5-ethylthiophene-2-carbonyl)-3-methylpiperidine-3-carboxylic acid has a molecular weight of 281.38 g/mol, XLogP of 2.64, 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)-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63133849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).