1-(5-methylthiophene-2-carbonyl)piperidine-3,4-dicarboxylic acid

C13H15NO5S — CID 115918252

IUPAC1-(5-methylthiophene-2-carbonyl)piperidine-3,4-dicarboxylic acid
SMILESCc1ccc(C(=O)N2CCC(C(=O)O)C(C(=O)O)C2)s1
InChIInChI=1S/C13H15NO5S/c1-7-2-3-10(20-7)11(15)14-5-4-8(12(16)17)9(6-14)13(18)19/h2-3,8-9H,4-6H2,1H3,(H,16,17)(H,18,19)
InChIKeyOVEQFLXPXUQYPR-UHFFFAOYSA-N
MW297.33 g/mol
LogP1.30
Rot. Bonds3

About 1-(5-methylthiophene-2-carbonyl)piperidine-3,4-dicarboxylic acid

1-(5-methylthiophene-2-carbonyl)piperidine-3,4-dicarboxylic acid (PubChem CID 115918252) has the molecular formula C13H15NO5S and a molecular weight of 297.33 g/mol. Its IUPAC name is 1-(5-methylthiophene-2-carbonyl)piperidine-3,4-dicarboxylic acid.

Molecular Properties

Compound Name1-(5-methylthiophene-2-carbonyl)piperidine-3,4-dicarboxylic acid
PubChem CID115918252
Molecular FormulaC13H15NO5S
Molecular Weight297.33 g/mol
Exact Mass297.07
IUPAC Name1-(5-methylthiophene-2-carbonyl)piperidine-3,4-dicarboxylic acid
SMILESCc1ccc(C(=O)N2CCC(C(=O)O)C(C(=O)O)C2)s1
InChIInChI=1S/C13H15NO5S/c1-7-2-3-10(20-7)11(15)14-5-4-8(12(16)17)9(6-14)13(18)19/h2-3,8-9H,4-6H2,1H3,(H,16,17)(H,18,19)
InChIKeyOVEQFLXPXUQYPR-UHFFFAOYSA-N
XLogP1.30
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 18072986
[3-(methylamino)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone;hydrochloride
CID 119413764
(4-methyl-3-propan-2-ylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone
CID 67965088
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 114960623
N-cyclopropyl-5-methyl-N-[(3R)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 97071473
[4-(methylamino)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 119561429
1-(4-methylbenzoyl)piperidine-3,4-dicarboxylic acid
CID 115918184
1-(5-methylthiophene-2-carbonyl)azetidine-2-carboxylic acid
CID 130645542
(5-methylthiophen-2-yl)-piperidin-1-ylmethanone
CID 22375343
2-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]propanoic acid
CID 116681533
(4-ethylsulfonylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone
CID 99798313
[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 95159159

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophene-2-carbonyl)piperidine-3,4-dicarboxylic acid?
The IUPAC name of 1-(5-methylthiophene-2-carbonyl)piperidine-3,4-dicarboxylic acid (CID 115918252) is 1-(5-methylthiophene-2-carbonyl)piperidine-3,4-dicarboxylic acid.
What is the SMILES notation for 1-(5-methylthiophene-2-carbonyl)piperidine-3,4-dicarboxylic acid?
The canonical SMILES for 1-(5-methylthiophene-2-carbonyl)piperidine-3,4-dicarboxylic acid is Cc1ccc(C(=O)N2CCC(C(=O)O)C(C(=O)O)C2)s1.
What is the InChIKey of 1-(5-methylthiophene-2-carbonyl)piperidine-3,4-dicarboxylic acid?
The InChIKey is OVEQFLXPXUQYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5S/c1-7-2-3-10(20-7)11(15)14-5-4-8(12(16)17)9(6-14)13(18)19/h2-3,8-9H,4-6H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 1-(5-methylthiophene-2-carbonyl)piperidine-3,4-dicarboxylic acid?
1-(5-methylthiophene-2-carbonyl)piperidine-3,4-dicarboxylic acid has a molecular weight of 297.33 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophene-2-carbonyl)piperidine-3,4-dicarboxylic acid is sourced from PubChem (CID 115918252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).