2-cyclopentyl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone

C18H23N3O2S — CID 52952510

IUPAC2-cyclopentyl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCC(c2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C18H23N3O2S/c22-16(12-13-4-1-2-5-13)21-9-7-14(8-10-21)18-19-17(20-23-18)15-6-3-11-24-15/h3,6,11,13-14H,1-2,4-5,7-10,12H2
InChIKeyLMLBJKHEALDLPO-UHFFFAOYSA-N
MW345.47 g/mol
LogP4.08
Rot. Bonds4

About 2-cyclopentyl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone

2-cyclopentyl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone (PubChem CID 52952510) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-cyclopentyl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
PubChem CID52952510
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name2-cyclopentyl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCC(c2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C18H23N3O2S/c22-16(12-13-4-1-2-5-13)21-9-7-14(8-10-21)18-19-17(20-23-18)15-6-3-11-24-15/h3,6,11,13-14H,1-2,4-5,7-10,12H2
InChIKeyLMLBJKHEALDLPO-UHFFFAOYSA-N
XLogP4.08
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-cyclopentyl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone 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 2-cyclopentyl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone (CID 52952510) is 2-cyclopentyl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone is O=C(CC1CCCC1)N1CCC(c2nc(-c3cccs3)no2)CC1.
What is the InChIKey of 2-cyclopentyl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
The InChIKey is LMLBJKHEALDLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c22-16(12-13-4-1-2-5-13)21-9-7-14(8-10-21)18-19-17(20-23-18)15-6-3-11-24-15/h3,6,11,13-14H,1-2,4-5,7-10,12H2.
What are the key properties of 2-cyclopentyl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
2-cyclopentyl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone has a molecular weight of 345.47 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 52952510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).