1-(5-ethyl-4-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid

C14H19NO3S — CID 43239661

IUPAC1-(5-ethyl-4-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid
SMILESCCc1sc(C(=O)N2CCCC(C(=O)O)C2)cc1C
InChIInChI=1S/C14H19NO3S/c1-3-11-9(2)7-12(19-11)13(16)15-6-4-5-10(8-15)14(17)18/h7,10H,3-6,8H2,1-2H3,(H,17,18)
InChIKeyGAFOHDFDTVEGMM-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.56
Rot. Bonds3

About 1-(5-ethyl-4-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid

1-(5-ethyl-4-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid (PubChem CID 43239661) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 1-(5-ethyl-4-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-ethyl-4-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid
PubChem CID43239661
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name1-(5-ethyl-4-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid
SMILESCCc1sc(C(=O)N2CCCC(C(=O)O)C2)cc1C
InChIInChI=1S/C14H19NO3S/c1-3-11-9(2)7-12(19-11)13(16)15-6-4-5-10(8-15)14(17)18/h7,10H,3-6,8H2,1-2H3,(H,17,18)
InChIKeyGAFOHDFDTVEGMM-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-4-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(5-ethyl-4-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid (CID 43239661) is 1-(5-ethyl-4-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-ethyl-4-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(5-ethyl-4-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid is CCc1sc(C(=O)N2CCCC(C(=O)O)C2)cc1C.
What is the InChIKey of 1-(5-ethyl-4-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is GAFOHDFDTVEGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-3-11-9(2)7-12(19-11)13(16)15-6-4-5-10(8-15)14(17)18/h7,10H,3-6,8H2,1-2H3,(H,17,18).
What are the key properties of 1-(5-ethyl-4-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid?
1-(5-ethyl-4-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 281.38 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-4-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 43239661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).