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

C20H26N4O — CID 40693861

IUPAC2-[1-(2-piperidin-1-ylethyl)indol-2-yl]-5-propyl-1,3,4-oxadiazole
SMILESCCCc1nnc(-c2cc3ccccc3n2CCN2CCCCC2)o1
InChIInChI=1S/C20H26N4O/c1-2-8-19-21-22-20(25-19)18-15-16-9-4-5-10-17(16)24(18)14-13-23-11-6-3-7-12-23/h4-5,9-10,15H,2-3,6-8,11-14H2,1H3
InChIKeyKUAFAYUHXFEZKI-UHFFFAOYSA-N
MW338.46 g/mol
LogP4.13
Rot. Bonds6

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

2-[1-(2-piperidin-1-ylethyl)indol-2-yl]-5-propyl-1,3,4-oxadiazole (PubChem CID 40693861) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 2-[1-(2-piperidin-1-ylethyl)indol-2-yl]-5-propyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(2-piperidin-1-ylethyl)indol-2-yl]-5-propyl-1,3,4-oxadiazole
PubChem CID40693861
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name2-[1-(2-piperidin-1-ylethyl)indol-2-yl]-5-propyl-1,3,4-oxadiazole
SMILESCCCc1nnc(-c2cc3ccccc3n2CCN2CCCCC2)o1
InChIInChI=1S/C20H26N4O/c1-2-8-19-21-22-20(25-19)18-15-16-9-4-5-10-17(16)24(18)14-13-23-11-6-3-7-12-23/h4-5,9-10,15H,2-3,6-8,11-14H2,1H3
InChIKeyKUAFAYUHXFEZKI-UHFFFAOYSA-N
XLogP4.13
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethyl]morpholine
CID 29173424
1-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]propan-2-one
CID 40693905
1-(2,3-dihydroindol-1-yl)-2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone
CID 16835963
2-ethyl-5-(1-prop-2-ynylindol-2-yl)-1,3,4-oxadiazole
CID 40693763
N-(2-methylphenyl)-2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 26842301
2-[2-(5-butyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-phenylethanone
CID 41160183
N-(1,3-benzodioxol-5-yl)-2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 16835967
N-[(4-fluorophenyl)methyl]-2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 26842332
2-butyl-5-(1-propan-2-ylindol-2-yl)-1,3,4-oxadiazole
CID 40694001
2-(1-ethylindol-2-yl)-5-methyl-1,3,4-oxadiazole
CID 40693672
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 16835973
N,N-diethyl-2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanamine
CID 40693933

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-piperidin-1-ylethyl)indol-2-yl]-5-propyl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(2-piperidin-1-ylethyl)indol-2-yl]-5-propyl-1,3,4-oxadiazole (CID 40693861) is 2-[1-(2-piperidin-1-ylethyl)indol-2-yl]-5-propyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(2-piperidin-1-ylethyl)indol-2-yl]-5-propyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(2-piperidin-1-ylethyl)indol-2-yl]-5-propyl-1,3,4-oxadiazole is CCCc1nnc(-c2cc3ccccc3n2CCN2CCCCC2)o1.
What is the InChIKey of 2-[1-(2-piperidin-1-ylethyl)indol-2-yl]-5-propyl-1,3,4-oxadiazole?
The InChIKey is KUAFAYUHXFEZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-2-8-19-21-22-20(25-19)18-15-16-9-4-5-10-17(16)24(18)14-13-23-11-6-3-7-12-23/h4-5,9-10,15H,2-3,6-8,11-14H2,1H3.
What are the key properties of 2-[1-(2-piperidin-1-ylethyl)indol-2-yl]-5-propyl-1,3,4-oxadiazole?
2-[1-(2-piperidin-1-ylethyl)indol-2-yl]-5-propyl-1,3,4-oxadiazole has a molecular weight of 338.46 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-piperidin-1-ylethyl)indol-2-yl]-5-propyl-1,3,4-oxadiazole is sourced from PubChem (CID 40693861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).