5-(dimethylcarbamoyl)-1-(4,5-dimethylthiophene-3-carbonyl)piperidine-2-carboxylic acid

C16H22N2O4S — CID 138031955

IUPAC5-(dimethylcarbamoyl)-1-(4,5-dimethylthiophene-3-carbonyl)piperidine-2-carboxylic acid
SMILESCc1scc(C(=O)N2CC(C(=O)N(C)C)CCC2C(=O)O)c1C
InChIInChI=1S/C16H22N2O4S/c1-9-10(2)23-8-12(9)15(20)18-7-11(14(19)17(3)4)5-6-13(18)16(21)22/h8,11,13H,5-7H2,1-4H3,(H,21,22)
InChIKeyLCTUKQPFXKYUHI-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.76
Rot. Bonds3

About 5-(dimethylcarbamoyl)-1-(4,5-dimethylthiophene-3-carbonyl)piperidine-2-carboxylic acid

5-(dimethylcarbamoyl)-1-(4,5-dimethylthiophene-3-carbonyl)piperidine-2-carboxylic acid (PubChem CID 138031955) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is 5-(dimethylcarbamoyl)-1-(4,5-dimethylthiophene-3-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(dimethylcarbamoyl)-1-(4,5-dimethylthiophene-3-carbonyl)piperidine-2-carboxylic acid
PubChem CID138031955
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC Name5-(dimethylcarbamoyl)-1-(4,5-dimethylthiophene-3-carbonyl)piperidine-2-carboxylic acid
SMILESCc1scc(C(=O)N2CC(C(=O)N(C)C)CCC2C(=O)O)c1C
InChIInChI=1S/C16H22N2O4S/c1-9-10(2)23-8-12(9)15(20)18-7-11(14(19)17(3)4)5-6-13(18)16(21)22/h8,11,13H,5-7H2,1-4H3,(H,21,22)
InChIKeyLCTUKQPFXKYUHI-UHFFFAOYSA-N
XLogP1.76
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylcarbamoyl)-1-(4,5-dimethylthiophene-3-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 5-(dimethylcarbamoyl)-1-(4,5-dimethylthiophene-3-carbonyl)piperidine-2-carboxylic acid (CID 138031955) is 5-(dimethylcarbamoyl)-1-(4,5-dimethylthiophene-3-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 5-(dimethylcarbamoyl)-1-(4,5-dimethylthiophene-3-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 5-(dimethylcarbamoyl)-1-(4,5-dimethylthiophene-3-carbonyl)piperidine-2-carboxylic acid is Cc1scc(C(=O)N2CC(C(=O)N(C)C)CCC2C(=O)O)c1C.
What is the InChIKey of 5-(dimethylcarbamoyl)-1-(4,5-dimethylthiophene-3-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is LCTUKQPFXKYUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-9-10(2)23-8-12(9)15(20)18-7-11(14(19)17(3)4)5-6-13(18)16(21)22/h8,11,13H,5-7H2,1-4H3,(H,21,22).
What are the key properties of 5-(dimethylcarbamoyl)-1-(4,5-dimethylthiophene-3-carbonyl)piperidine-2-carboxylic acid?
5-(dimethylcarbamoyl)-1-(4,5-dimethylthiophene-3-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 338.43 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylcarbamoyl)-1-(4,5-dimethylthiophene-3-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 138031955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).