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

C17H21N3O3 — CID 118911166

IUPAC5-[1-[1-(1,3-benzodioxol-5-yl)ethyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CCN(C(C)c3ccc4c(c3)OCO4)CC2)n1
InChIInChI=1S/C17H21N3O3/c1-11(14-3-4-15-16(9-14)22-10-21-15)20-7-5-13(6-8-20)17-18-12(2)19-23-17/h3-4,9,11,13H,5-8,10H2,1-2H3
InChIKeyRAIOZUACQOHBBX-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.05
Rot. Bonds3

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

5-[1-[1-(1,3-benzodioxol-5-yl)ethyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 118911166) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 5-[1-[1-(1,3-benzodioxol-5-yl)ethyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[1-(1,3-benzodioxol-5-yl)ethyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID118911166
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name5-[1-[1-(1,3-benzodioxol-5-yl)ethyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CCN(C(C)c3ccc4c(c3)OCO4)CC2)n1
InChIInChI=1S/C17H21N3O3/c1-11(14-3-4-15-16(9-14)22-10-21-15)20-7-5-13(6-8-20)17-18-12(2)19-23-17/h3-4,9,11,13H,5-8,10H2,1-2H3
InChIKeyRAIOZUACQOHBBX-UHFFFAOYSA-N
XLogP3.05
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[1-(1,3-benzodioxol-5-yl)ethyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[1-(1,3-benzodioxol-5-yl)ethyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole (CID 118911166) is 5-[1-[1-(1,3-benzodioxol-5-yl)ethyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[1-(1,3-benzodioxol-5-yl)ethyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[1-(1,3-benzodioxol-5-yl)ethyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole is Cc1noc(C2CCN(C(C)c3ccc4c(c3)OCO4)CC2)n1.
What is the InChIKey of 5-[1-[1-(1,3-benzodioxol-5-yl)ethyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is RAIOZUACQOHBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-11(14-3-4-15-16(9-14)22-10-21-15)20-7-5-13(6-8-20)17-18-12(2)19-23-17/h3-4,9,11,13H,5-8,10H2,1-2H3.
What are the key properties of 5-[1-[1-(1,3-benzodioxol-5-yl)ethyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole?
5-[1-[1-(1,3-benzodioxol-5-yl)ethyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 315.37 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[1-(1,3-benzodioxol-5-yl)ethyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 118911166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).