1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid

C17H16N4O3S — CID 56770049

IUPAC1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(c2ncccc2-c2nc(-c3cccs3)no2)C1
InChIInChI=1S/C17H16N4O3S/c22-17(23)11-4-2-8-21(10-11)15-12(5-1-7-18-15)16-19-14(20-24-16)13-6-3-9-25-13/h1,3,5-7,9,11H,2,4,8,10H2,(H,22,23)
InChIKeyFZSWVVXFSTZJIW-UHFFFAOYSA-N
MW356.41 g/mol
LogP3.16
Rot. Bonds4

About 1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid

1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid (PubChem CID 56770049) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is 1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid
PubChem CID56770049
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC Name1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(c2ncccc2-c2nc(-c3cccs3)no2)C1
InChIInChI=1S/C17H16N4O3S/c22-17(23)11-4-2-8-21(10-11)15-12(5-1-7-18-15)16-19-14(20-24-16)13-6-3-9-25-13/h1,3,5-7,9,11H,2,4,8,10H2,(H,22,23)
InChIKeyFZSWVVXFSTZJIW-UHFFFAOYSA-N
XLogP3.16
TPSA92.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid (CID 56770049) is 1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(c2ncccc2-c2nc(-c3cccs3)no2)C1.
What is the InChIKey of 1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid?
The InChIKey is FZSWVVXFSTZJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c22-17(23)11-4-2-8-21(10-11)15-12(5-1-7-18-15)16-19-14(20-24-16)13-6-3-9-25-13/h1,3,5-7,9,11H,2,4,8,10H2,(H,22,23).
What are the key properties of 1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid?
1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid has a molecular weight of 356.41 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 56770049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).