(2R)-1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one

C15H19N3O2S — CID 95773697

IUPAC(2R)-1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one
SMILESCc1nc([C@@H]2CCCN(C(=O)[C@@H](C)c3cccs3)C2)no1
InChIInChI=1S/C15H19N3O2S/c1-10(13-6-4-8-21-13)15(19)18-7-3-5-12(9-18)14-16-11(2)20-17-14/h4,6,8,10,12H,3,5,7,9H2,1-2H3/t10-,12+/m0/s1
InChIKeySOKFLTBYDBIYRD-CMPLNLGQSA-N
MW305.40 g/mol
LogP2.95
Rot. Bonds3

About (2R)-1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one

(2R)-1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one (PubChem CID 95773697) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is (2R)-1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one
PubChem CID95773697
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name(2R)-1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one
SMILESCc1nc([C@@H]2CCCN(C(=O)[C@@H](C)c3cccs3)C2)no1
InChIInChI=1S/C15H19N3O2S/c1-10(13-6-4-8-21-13)15(19)18-7-3-5-12(9-18)14-16-11(2)20-17-14/h4,6,8,10,12H,3,5,7,9H2,1-2H3/t10-,12+/m0/s1
InChIKeySOKFLTBYDBIYRD-CMPLNLGQSA-N
XLogP2.95
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one 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 (2R)-1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one?
The IUPAC name of (2R)-1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one (CID 95773697) is (2R)-1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one.
What is the SMILES notation for (2R)-1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one?
The canonical SMILES for (2R)-1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one is Cc1nc([C@@H]2CCCN(C(=O)[C@@H](C)c3cccs3)C2)no1.
What is the InChIKey of (2R)-1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one?
The InChIKey is SOKFLTBYDBIYRD-CMPLNLGQSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10(13-6-4-8-21-13)15(19)18-7-3-5-12(9-18)14-16-11(2)20-17-14/h4,6,8,10,12H,3,5,7,9H2,1-2H3/t10-,12+/m0/s1.
What are the key properties of (2R)-1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one?
(2R)-1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one has a molecular weight of 305.40 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 95773697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).