3-benzyl-5-[1-(2-piperidin-1-ylethyl)indol-3-yl]-1,2,4-oxadiazole

C24H26N4O — CID 10200181

IUPAC3-benzyl-5-[1-(2-piperidin-1-ylethyl)indol-3-yl]-1,2,4-oxadiazole
SMILESc1ccc(Cc2noc(-c3cn(CCN4CCCCC4)c4ccccc34)n2)cc1
InChIInChI=1S/C24H26N4O/c1-3-9-19(10-4-1)17-23-25-24(29-26-23)21-18-28(22-12-6-5-11-20(21)22)16-15-27-13-7-2-8-14-27/h1,3-6,9-12,18H,2,7-8,13-17H2
InChIKeyYPMZTMMTSLUVCE-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.77
Rot. Bonds6

About 3-benzyl-5-[1-(2-piperidin-1-ylethyl)indol-3-yl]-1,2,4-oxadiazole

3-benzyl-5-[1-(2-piperidin-1-ylethyl)indol-3-yl]-1,2,4-oxadiazole (PubChem CID 10200181) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 3-benzyl-5-[1-(2-piperidin-1-ylethyl)indol-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-benzyl-5-[1-(2-piperidin-1-ylethyl)indol-3-yl]-1,2,4-oxadiazole
PubChem CID10200181
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name3-benzyl-5-[1-(2-piperidin-1-ylethyl)indol-3-yl]-1,2,4-oxadiazole
SMILESc1ccc(Cc2noc(-c3cn(CCN4CCCCC4)c4ccccc34)n2)cc1
InChIInChI=1S/C24H26N4O/c1-3-9-19(10-4-1)17-23-25-24(29-26-23)21-18-28(22-12-6-5-11-20(21)22)16-15-27-13-7-2-8-14-27/h1,3-6,9-12,18H,2,7-8,13-17H2
InChIKeyYPMZTMMTSLUVCE-UHFFFAOYSA-N
XLogP4.77
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-[1-(2-piperidin-1-ylethyl)indol-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-benzyl-5-[1-(2-piperidin-1-ylethyl)indol-3-yl]-1,2,4-oxadiazole (CID 10200181) is 3-benzyl-5-[1-(2-piperidin-1-ylethyl)indol-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-benzyl-5-[1-(2-piperidin-1-ylethyl)indol-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-benzyl-5-[1-(2-piperidin-1-ylethyl)indol-3-yl]-1,2,4-oxadiazole is c1ccc(Cc2noc(-c3cn(CCN4CCCCC4)c4ccccc34)n2)cc1.
What is the InChIKey of 3-benzyl-5-[1-(2-piperidin-1-ylethyl)indol-3-yl]-1,2,4-oxadiazole?
The InChIKey is YPMZTMMTSLUVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-3-9-19(10-4-1)17-23-25-24(29-26-23)21-18-28(22-12-6-5-11-20(21)22)16-15-27-13-7-2-8-14-27/h1,3-6,9-12,18H,2,7-8,13-17H2.
What are the key properties of 3-benzyl-5-[1-(2-piperidin-1-ylethyl)indol-3-yl]-1,2,4-oxadiazole?
3-benzyl-5-[1-(2-piperidin-1-ylethyl)indol-3-yl]-1,2,4-oxadiazole has a molecular weight of 386.50 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-[1-(2-piperidin-1-ylethyl)indol-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 10200181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).