1-(4,5-dimethylthiophene-3-carbonyl)-6-methylpiperidine-3-carboxylic acid

C14H19NO3S — CID 122112886

IUPAC1-(4,5-dimethylthiophene-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
SMILESCc1scc(C(=O)N2CC(C(=O)O)CCC2C)c1C
InChIInChI=1S/C14H19NO3S/c1-8-4-5-11(14(17)18)6-15(8)13(16)12-7-19-10(3)9(12)2/h7-8,11H,4-6H2,1-3H3,(H,17,18)
InChIKeyVKJOFRFVWNSCHB-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.69
Rot. Bonds2

About 1-(4,5-dimethylthiophene-3-carbonyl)-6-methylpiperidine-3-carboxylic acid

1-(4,5-dimethylthiophene-3-carbonyl)-6-methylpiperidine-3-carboxylic acid (PubChem CID 122112886) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 1-(4,5-dimethylthiophene-3-carbonyl)-6-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4,5-dimethylthiophene-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
PubChem CID122112886
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name1-(4,5-dimethylthiophene-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
SMILESCc1scc(C(=O)N2CC(C(=O)O)CCC2C)c1C
InChIInChI=1S/C14H19NO3S/c1-8-4-5-11(14(17)18)6-15(8)13(16)12-7-19-10(3)9(12)2/h7-8,11H,4-6H2,1-3H3,(H,17,18)
InChIKeyVKJOFRFVWNSCHB-UHFFFAOYSA-N
XLogP2.69
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4,5-dimethylthiophene-3-carbonyl)-6-methylpiperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,5-dimethylfuran-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083917
1-(3,5-dimethylfuran-2-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122113561
6-methyl-1-(2-methyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylic acid
CID 122083597
1-(3-bromothiophene-2-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083668
1-(3-ethylthiophene-2-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083600
6-methyl-1-(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylic acid
CID 122112768
6-methyl-1-(5-methyl-4-propylthiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 122083821
1-(2,4-dimethyl-5-nitrobenzoyl)-6-methylpiperidine-3-carboxylic acid
CID 122112684
1-(5,6-dimethyl-1-benzofuran-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122112700
1-(5-bromo-3-methylfuran-2-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122113905
6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 122083564
1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083558

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethylthiophene-3-carbonyl)-6-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(4,5-dimethylthiophene-3-carbonyl)-6-methylpiperidine-3-carboxylic acid (CID 122112886) is 1-(4,5-dimethylthiophene-3-carbonyl)-6-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(4,5-dimethylthiophene-3-carbonyl)-6-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(4,5-dimethylthiophene-3-carbonyl)-6-methylpiperidine-3-carboxylic acid is Cc1scc(C(=O)N2CC(C(=O)O)CCC2C)c1C.
What is the InChIKey of 1-(4,5-dimethylthiophene-3-carbonyl)-6-methylpiperidine-3-carboxylic acid?
The InChIKey is VKJOFRFVWNSCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-8-4-5-11(14(17)18)6-15(8)13(16)12-7-19-10(3)9(12)2/h7-8,11H,4-6H2,1-3H3,(H,17,18).
What are the key properties of 1-(4,5-dimethylthiophene-3-carbonyl)-6-methylpiperidine-3-carboxylic acid?
1-(4,5-dimethylthiophene-3-carbonyl)-6-methylpiperidine-3-carboxylic acid has a molecular weight of 281.38 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylthiophene-3-carbonyl)-6-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122112886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).