5-acetyl-N-piperidin-1-ylthiophene-2-carboxamide

C12H16N2O2S — CID 9083947

IUPAC5-acetyl-N-piperidin-1-ylthiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)NN2CCCCC2)s1
InChIInChI=1S/C12H16N2O2S/c1-9(15)10-5-6-11(17-10)12(16)13-14-7-3-2-4-8-14/h5-6H,2-4,7-8H2,1H3,(H,13,16)
InChIKeyZANSNLPAIQOUPE-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.08
Rot. Bonds3

About 5-acetyl-N-piperidin-1-ylthiophene-2-carboxamide

5-acetyl-N-piperidin-1-ylthiophene-2-carboxamide (PubChem CID 9083947) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 5-acetyl-N-piperidin-1-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-piperidin-1-ylthiophene-2-carboxamide
PubChem CID9083947
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name5-acetyl-N-piperidin-1-ylthiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)NN2CCCCC2)s1
InChIInChI=1S/C12H16N2O2S/c1-9(15)10-5-6-11(17-10)12(16)13-14-7-3-2-4-8-14/h5-6H,2-4,7-8H2,1H3,(H,13,16)
InChIKeyZANSNLPAIQOUPE-UHFFFAOYSA-N
XLogP2.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-piperidin-1-ylthiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-piperidin-1-ylthiophene-2-carboxamide (CID 9083947) is 5-acetyl-N-piperidin-1-ylthiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-piperidin-1-ylthiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-piperidin-1-ylthiophene-2-carboxamide is CC(=O)c1ccc(C(=O)NN2CCCCC2)s1.
What is the InChIKey of 5-acetyl-N-piperidin-1-ylthiophene-2-carboxamide?
The InChIKey is ZANSNLPAIQOUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-9(15)10-5-6-11(17-10)12(16)13-14-7-3-2-4-8-14/h5-6H,2-4,7-8H2,1H3,(H,13,16).
What are the key properties of 5-acetyl-N-piperidin-1-ylthiophene-2-carboxamide?
5-acetyl-N-piperidin-1-ylthiophene-2-carboxamide has a molecular weight of 252.34 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-piperidin-1-ylthiophene-2-carboxamide is sourced from PubChem (CID 9083947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).