3-methyl-1-(4-methylthiophene-3-carbonyl)piperidine-3-carboxylic acid

C13H17NO3S — CID 79803046

IUPAC3-methyl-1-(4-methylthiophene-3-carbonyl)piperidine-3-carboxylic acid
SMILESCc1cscc1C(=O)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C13H17NO3S/c1-9-6-18-7-10(9)11(15)14-5-3-4-13(2,8-14)12(16)17/h6-7H,3-5,8H2,1-2H3,(H,16,17)
InChIKeyZPABIEFIJDIHOR-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.38
Rot. Bonds2

About 3-methyl-1-(4-methylthiophene-3-carbonyl)piperidine-3-carboxylic acid

3-methyl-1-(4-methylthiophene-3-carbonyl)piperidine-3-carboxylic acid (PubChem CID 79803046) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 3-methyl-1-(4-methylthiophene-3-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(4-methylthiophene-3-carbonyl)piperidine-3-carboxylic acid
PubChem CID79803046
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name3-methyl-1-(4-methylthiophene-3-carbonyl)piperidine-3-carboxylic acid
SMILESCc1cscc1C(=O)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C13H17NO3S/c1-9-6-18-7-10(9)11(15)14-5-3-4-13(2,8-14)12(16)17/h6-7H,3-5,8H2,1-2H3,(H,16,17)
InChIKeyZPABIEFIJDIHOR-UHFFFAOYSA-N
XLogP2.38
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-3-methylbenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 107981448
(3-hydroxy-3-methylazetidin-1-yl)-(4-methylthiophen-3-yl)methanone
CID 79808707
1-(4-hydroxybenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 55166833
3-methyl-1-(2,3,4-trifluorobenzoyl)piperidine-3-carboxylic acid
CID 79757244
3-methyl-1-(5-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 55164526
1-(5-bromothiophene-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 55165489
3-methyl-1-(3-methyl-1,2-thiazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 120529180
4-methyl-1-(4-methylthiophene-3-carbonyl)piperidine-4-carbonitrile
CID 113364805
1-(4-chlorobenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 55167027
3-methyl-1-(thiadiazole-5-carbonyl)piperidine-3-carboxylic acid
CID 55166836
3-methyl-1-(6-methylpyridazine-3-carbonyl)piperidine-3-carboxylic acid
CID 154841847
3-methyl-1-(3,4,5-trifluorobenzoyl)piperidine-3-carboxylic acid
CID 63187130

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-methylthiophene-3-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(4-methylthiophene-3-carbonyl)piperidine-3-carboxylic acid (CID 79803046) is 3-methyl-1-(4-methylthiophene-3-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(4-methylthiophene-3-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(4-methylthiophene-3-carbonyl)piperidine-3-carboxylic acid is Cc1cscc1C(=O)N1CCCC(C)(C(=O)O)C1.
What is the InChIKey of 3-methyl-1-(4-methylthiophene-3-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is ZPABIEFIJDIHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-9-6-18-7-10(9)11(15)14-5-3-4-13(2,8-14)12(16)17/h6-7H,3-5,8H2,1-2H3,(H,16,17).
What are the key properties of 3-methyl-1-(4-methylthiophene-3-carbonyl)piperidine-3-carboxylic acid?
3-methyl-1-(4-methylthiophene-3-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 267.35 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-methylthiophene-3-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 79803046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).