2-(2-piperidin-1-ylpropanoylamino)thiophene-3-carboxamide

C13H19N3O2S — CID 45281638

IUPAC2-(2-piperidin-1-ylpropanoylamino)thiophene-3-carboxamide
SMILESCC(C(=O)Nc1sccc1C(N)=O)N1CCCCC1
InChIInChI=1S/C13H19N3O2S/c1-9(16-6-3-2-4-7-16)12(18)15-13-10(11(14)17)5-8-19-13/h5,8-9H,2-4,6-7H2,1H3,(H2,14,17)(H,15,18)
InChIKeyNUZRMTQKJDXGHP-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.66
Rot. Bonds4

About 2-(2-piperidin-1-ylpropanoylamino)thiophene-3-carboxamide

2-(2-piperidin-1-ylpropanoylamino)thiophene-3-carboxamide (PubChem CID 45281638) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-(2-piperidin-1-ylpropanoylamino)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(2-piperidin-1-ylpropanoylamino)thiophene-3-carboxamide
PubChem CID45281638
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name2-(2-piperidin-1-ylpropanoylamino)thiophene-3-carboxamide
SMILESCC(C(=O)Nc1sccc1C(N)=O)N1CCCCC1
InChIInChI=1S/C13H19N3O2S/c1-9(16-6-3-2-4-7-16)12(18)15-13-10(11(14)17)5-8-19-13/h5,8-9H,2-4,6-7H2,1H3,(H2,14,17)(H,15,18)
InChIKeyNUZRMTQKJDXGHP-UHFFFAOYSA-N
XLogP1.66
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-1-ylpropanoylamino)thiophene-3-carboxamide?
The IUPAC name of 2-(2-piperidin-1-ylpropanoylamino)thiophene-3-carboxamide (CID 45281638) is 2-(2-piperidin-1-ylpropanoylamino)thiophene-3-carboxamide.
What is the SMILES notation for 2-(2-piperidin-1-ylpropanoylamino)thiophene-3-carboxamide?
The canonical SMILES for 2-(2-piperidin-1-ylpropanoylamino)thiophene-3-carboxamide is CC(C(=O)Nc1sccc1C(N)=O)N1CCCCC1.
What is the InChIKey of 2-(2-piperidin-1-ylpropanoylamino)thiophene-3-carboxamide?
The InChIKey is NUZRMTQKJDXGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-9(16-6-3-2-4-7-16)12(18)15-13-10(11(14)17)5-8-19-13/h5,8-9H,2-4,6-7H2,1H3,(H2,14,17)(H,15,18).
What are the key properties of 2-(2-piperidin-1-ylpropanoylamino)thiophene-3-carboxamide?
2-(2-piperidin-1-ylpropanoylamino)thiophene-3-carboxamide has a molecular weight of 281.38 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-1-ylpropanoylamino)thiophene-3-carboxamide is sourced from PubChem (CID 45281638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).