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

C12H15NO3S — CID 24702784

IUPAC1-(3-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid
SMILESCc1ccsc1C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C12H15NO3S/c1-8-4-6-17-10(8)11(14)13-5-2-3-9(7-13)12(15)16/h4,6,9H,2-3,5,7H2,1H3,(H,15,16)
InChIKeyGTAKQEGKEGHUBS-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.99
Rot. Bonds2

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

1-(3-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid (PubChem CID 24702784) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-(3-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid
PubChem CID24702784
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC Name1-(3-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid
SMILESCc1ccsc1C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C12H15NO3S/c1-8-4-6-17-10(8)11(14)13-5-2-3-9(7-13)12(15)16/h4,6,9H,2-3,5,7H2,1H3,(H,15,16)
InChIKeyGTAKQEGKEGHUBS-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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(3-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid (CID 24702784) is 1-(3-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(3-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid is Cc1ccsc1C(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-(3-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is GTAKQEGKEGHUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S/c1-8-4-6-17-10(8)11(14)13-5-2-3-9(7-13)12(15)16/h4,6,9H,2-3,5,7H2,1H3,(H,15,16).
What are the key properties of 1-(3-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid?
1-(3-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-(3-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 24702784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).