2-(1,3-benzodioxol-5-yl)-5-[(4-benzylpiperidin-1-yl)methyl]-1,3,4-oxadiazole

C22H23N3O3 — CID 22432370

IUPAC2-(1,3-benzodioxol-5-yl)-5-[(4-benzylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
SMILESc1ccc(CC2CCN(Cc3nnc(-c4ccc5c(c4)OCO5)o3)CC2)cc1
InChIInChI=1S/C22H23N3O3/c1-2-4-16(5-3-1)12-17-8-10-25(11-9-17)14-21-23-24-22(28-21)18-6-7-19-20(13-18)27-15-26-19/h1-7,13,17H,8-12,14-15H2
InChIKeyJWYXQGFBDNVCFD-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.92
Rot. Bonds5

About 2-(1,3-benzodioxol-5-yl)-5-[(4-benzylpiperidin-1-yl)methyl]-1,3,4-oxadiazole

2-(1,3-benzodioxol-5-yl)-5-[(4-benzylpiperidin-1-yl)methyl]-1,3,4-oxadiazole (PubChem CID 22432370) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-5-[(4-benzylpiperidin-1-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-5-[(4-benzylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
PubChem CID22432370
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name2-(1,3-benzodioxol-5-yl)-5-[(4-benzylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
SMILESc1ccc(CC2CCN(Cc3nnc(-c4ccc5c(c4)OCO5)o3)CC2)cc1
InChIInChI=1S/C22H23N3O3/c1-2-4-16(5-3-1)12-17-8-10-25(11-9-17)14-21-23-24-22(28-21)18-6-7-19-20(13-18)27-15-26-19/h1-7,13,17H,8-12,14-15H2
InChIKeyJWYXQGFBDNVCFD-UHFFFAOYSA-N
XLogP3.92
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(1,3-benzodioxol-5-yl)-5-[(4-benzylpiperidin-1-yl)methyl]-1,3,4-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 2-(1,3-benzodioxol-5-yl)-5-[(4-benzylpiperidin-1-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-5-[(4-benzylpiperidin-1-yl)methyl]-1,3,4-oxadiazole (CID 22432370) is 2-(1,3-benzodioxol-5-yl)-5-[(4-benzylpiperidin-1-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-5-[(4-benzylpiperidin-1-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-5-[(4-benzylpiperidin-1-yl)methyl]-1,3,4-oxadiazole is c1ccc(CC2CCN(Cc3nnc(-c4ccc5c(c4)OCO5)o3)CC2)cc1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-5-[(4-benzylpiperidin-1-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is JWYXQGFBDNVCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-2-4-16(5-3-1)12-17-8-10-25(11-9-17)14-21-23-24-22(28-21)18-6-7-19-20(13-18)27-15-26-19/h1-7,13,17H,8-12,14-15H2.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-5-[(4-benzylpiperidin-1-yl)methyl]-1,3,4-oxadiazole?
2-(1,3-benzodioxol-5-yl)-5-[(4-benzylpiperidin-1-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 377.44 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-5-[(4-benzylpiperidin-1-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 22432370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).