1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide

C13H16N4O2S — CID 2811320

IUPAC1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C13H16N4O2S/c14-12(18)9-3-5-17(6-4-9)8-11-15-13(16-19-11)10-2-1-7-20-10/h1-2,7,9H,3-6,8H2,(H2,14,18)
InChIKeyYJUWPIFVEXKZCK-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.50
Rot. Bonds4

About 1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide

1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide (PubChem CID 2811320) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
PubChem CID2811320
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C13H16N4O2S/c14-12(18)9-3-5-17(6-4-9)8-11-15-13(16-19-11)10-2-1-7-20-10/h1-2,7,9H,3-6,8H2,(H2,14,18)
InChIKeyYJUWPIFVEXKZCK-UHFFFAOYSA-N
XLogP1.50
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide (CID 2811320) is 1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide is NC(=O)C1CCN(Cc2nc(-c3cccs3)no2)CC1.
What is the InChIKey of 1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The InChIKey is YJUWPIFVEXKZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c14-12(18)9-3-5-17(6-4-9)8-11-15-13(16-19-11)10-2-1-7-20-10/h1-2,7,9H,3-6,8H2,(H2,14,18).
What are the key properties of 1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 2811320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).