1-(5-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid

C12H15NO3S — CID 18072986

IUPAC1-(5-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid
SMILESCc1ccc(C(=O)N2CCCC(C(=O)O)C2)s1
InChIInChI=1S/C12H15NO3S/c1-8-4-5-10(17-8)11(14)13-6-2-3-9(7-13)12(15)16/h4-5,9H,2-3,6-7H2,1H3,(H,15,16)
InChIKeyXJCOSCIVUAZBEE-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.99
Rot. Bonds2

About 1-(5-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid

1-(5-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid (PubChem CID 18072986) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-(5-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid
PubChem CID18072986
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC Name1-(5-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid
SMILESCc1ccc(C(=O)N2CCCC(C(=O)O)C2)s1
InChIInChI=1S/C12H15NO3S/c1-8-4-5-10(17-8)11(14)13-6-2-3-9(7-13)12(15)16/h4-5,9H,2-3,6-7H2,1H3,(H,15,16)
InChIKeyXJCOSCIVUAZBEE-UHFFFAOYSA-N
XLogP1.99
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-methylthiophene-2-carbonyl)piperidine-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

(5-methylthiophen-2-yl)-piperidin-1-ylmethanone
CID 22375343
1-(5-ethylthiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 43355865
1-(2,5-dimethylthiophene-3-carbonyl)piperidine-3-carboxylic acid
CID 43355862
1-(5-methylthiophene-2-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918252
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342
1-[(5-methylthiophen-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 62056913
[1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone
CID 55976108
(3S)-1-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81126163
[4-[[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone
CID 53150030
(3S)-1-[4-(5-methylthiophen-2-yl)butanoyl]piperidine-3-carboxylic acid
CID 99623166
[3-(methylamino)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone;hydrochloride
CID 119413764

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(5-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid (CID 18072986) is 1-(5-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(5-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid is Cc1ccc(C(=O)N2CCCC(C(=O)O)C2)s1.
What is the InChIKey of 1-(5-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is XJCOSCIVUAZBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S/c1-8-4-5-10(17-8)11(14)13-6-2-3-9(7-13)12(15)16/h4-5,9H,2-3,6-7H2,1H3,(H,15,16).
What are the key properties of 1-(5-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid?
1-(5-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 253.32 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 18072986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).