5-(4-cyclopropylpiperidin-1-yl)-3-propan-2-yl-1,2,4-oxadiazole

C13H21N3O — CID 70856291

IUPAC5-(4-cyclopropylpiperidin-1-yl)-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(N2CCC(C3CC3)CC2)n1
InChIInChI=1S/C13H21N3O/c1-9(2)12-14-13(17-15-12)16-7-5-11(6-8-16)10-3-4-10/h9-11H,3-8H2,1-2H3
InChIKeyVBICKJUBLUEWDX-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.82
Rot. Bonds3

About 5-(4-cyclopropylpiperidin-1-yl)-3-propan-2-yl-1,2,4-oxadiazole

5-(4-cyclopropylpiperidin-1-yl)-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 70856291) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-(4-cyclopropylpiperidin-1-yl)-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-cyclopropylpiperidin-1-yl)-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID70856291
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name5-(4-cyclopropylpiperidin-1-yl)-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(N2CCC(C3CC3)CC2)n1
InChIInChI=1S/C13H21N3O/c1-9(2)12-14-13(17-15-12)16-7-5-11(6-8-16)10-3-4-10/h9-11H,3-8H2,1-2H3
InChIKeyVBICKJUBLUEWDX-UHFFFAOYSA-N
XLogP2.82
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4-cyclopropylpiperidin-1-yl)-3-propan-2-yl-1,2,4-oxadiazole 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 5-(4-cyclopropylpiperidin-1-yl)-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(4-cyclopropylpiperidin-1-yl)-3-propan-2-yl-1,2,4-oxadiazole (CID 70856291) is 5-(4-cyclopropylpiperidin-1-yl)-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-cyclopropylpiperidin-1-yl)-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-cyclopropylpiperidin-1-yl)-3-propan-2-yl-1,2,4-oxadiazole is CC(C)c1noc(N2CCC(C3CC3)CC2)n1.
What is the InChIKey of 5-(4-cyclopropylpiperidin-1-yl)-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is VBICKJUBLUEWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9(2)12-14-13(17-15-12)16-7-5-11(6-8-16)10-3-4-10/h9-11H,3-8H2,1-2H3.
What are the key properties of 5-(4-cyclopropylpiperidin-1-yl)-3-propan-2-yl-1,2,4-oxadiazole?
5-(4-cyclopropylpiperidin-1-yl)-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 235.33 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopropylpiperidin-1-yl)-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 70856291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).