1-(3-ethylthiophene-2-carbonyl)-6-methylpiperidine-3-carboxylic acid

C14H19NO3S — CID 122083600

IUPAC1-(3-ethylthiophene-2-carbonyl)-6-methylpiperidine-3-carboxylic acid
SMILESCCc1ccsc1C(=O)N1CC(C(=O)O)CCC1C
InChIInChI=1S/C14H19NO3S/c1-3-10-6-7-19-12(10)13(16)15-8-11(14(17)18)5-4-9(15)2/h6-7,9,11H,3-5,8H2,1-2H3,(H,17,18)
InChIKeyZUFLQBBWRXACLH-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.64
Rot. Bonds3

About 1-(3-ethylthiophene-2-carbonyl)-6-methylpiperidine-3-carboxylic acid

1-(3-ethylthiophene-2-carbonyl)-6-methylpiperidine-3-carboxylic acid (PubChem CID 122083600) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 1-(3-ethylthiophene-2-carbonyl)-6-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-ethylthiophene-2-carbonyl)-6-methylpiperidine-3-carboxylic acid
PubChem CID122083600
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name1-(3-ethylthiophene-2-carbonyl)-6-methylpiperidine-3-carboxylic acid
SMILESCCc1ccsc1C(=O)N1CC(C(=O)O)CCC1C
InChIInChI=1S/C14H19NO3S/c1-3-10-6-7-19-12(10)13(16)15-8-11(14(17)18)5-4-9(15)2/h6-7,9,11H,3-5,8H2,1-2H3,(H,17,18)
InChIKeyZUFLQBBWRXACLH-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

1-(3-bromothiophene-2-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083668
1-(3-ethylthiophene-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79364426
(2S)-1-(3-ethylthiophene-2-carbonyl)piperidine-2-carboxylic acid
CID 66264413
(3S,6R)-1-(3-bromothiophene-2-carbonyl)-6-methylpiperidine-3-carboxamide
CID 95584966
1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083558
(3-ethylthiophen-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81219797
(4R)-3-(3-ethylthiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61389230
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(3-ethylthiophen-2-yl)methanone
CID 81212290
6-methyl-1-(5-methyl-4-propylthiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 122083821
(3R,6S)-6-methyl-1-(2-phenylacetyl)piperidine-3-carboxylic acid
CID 169210694
1-(4,5-dimethylthiophene-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122112886
1-(furan-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083728

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylthiophene-2-carbonyl)-6-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(3-ethylthiophene-2-carbonyl)-6-methylpiperidine-3-carboxylic acid (CID 122083600) is 1-(3-ethylthiophene-2-carbonyl)-6-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-ethylthiophene-2-carbonyl)-6-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(3-ethylthiophene-2-carbonyl)-6-methylpiperidine-3-carboxylic acid is CCc1ccsc1C(=O)N1CC(C(=O)O)CCC1C.
What is the InChIKey of 1-(3-ethylthiophene-2-carbonyl)-6-methylpiperidine-3-carboxylic acid?
The InChIKey is ZUFLQBBWRXACLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-3-10-6-7-19-12(10)13(16)15-8-11(14(17)18)5-4-9(15)2/h6-7,9,11H,3-5,8H2,1-2H3,(H,17,18).
What are the key properties of 1-(3-ethylthiophene-2-carbonyl)-6-methylpiperidine-3-carboxylic acid?
1-(3-ethylthiophene-2-carbonyl)-6-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-(3-ethylthiophene-2-carbonyl)-6-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122083600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).