3-(1,3-benzodioxol-5-yl)-5-piperidin-4-yl-1,2,4-oxadiazole

C14H15N3O3 — CID 2761151

IUPAC3-(1,3-benzodioxol-5-yl)-5-piperidin-4-yl-1,2,4-oxadiazole
SMILESc1cc2c(cc1-c1noc(C3CCNCC3)n1)OCO2
InChIInChI=1S/C14H15N3O3/c1-2-11-12(19-8-18-11)7-10(1)13-16-14(20-17-13)9-3-5-15-6-4-9/h1-2,7,9,15H,3-6,8H2
InChIKeyWJLRNCOTWSCIOZ-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.93
Rot. Bonds2

About 3-(1,3-benzodioxol-5-yl)-5-piperidin-4-yl-1,2,4-oxadiazole

3-(1,3-benzodioxol-5-yl)-5-piperidin-4-yl-1,2,4-oxadiazole (PubChem CID 2761151) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-5-piperidin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-5-piperidin-4-yl-1,2,4-oxadiazole
PubChem CID2761151
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name3-(1,3-benzodioxol-5-yl)-5-piperidin-4-yl-1,2,4-oxadiazole
SMILESc1cc2c(cc1-c1noc(C3CCNCC3)n1)OCO2
InChIInChI=1S/C14H15N3O3/c1-2-11-12(19-8-18-11)7-10(1)13-16-14(20-17-13)9-3-5-15-6-4-9/h1-2,7,9,15H,3-6,8H2
InChIKeyWJLRNCOTWSCIOZ-UHFFFAOYSA-N
XLogP1.93
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-5-piperidin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-5-piperidin-4-yl-1,2,4-oxadiazole (CID 2761151) is 3-(1,3-benzodioxol-5-yl)-5-piperidin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-5-piperidin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-5-piperidin-4-yl-1,2,4-oxadiazole is c1cc2c(cc1-c1noc(C3CCNCC3)n1)OCO2.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-5-piperidin-4-yl-1,2,4-oxadiazole?
The InChIKey is WJLRNCOTWSCIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-2-11-12(19-8-18-11)7-10(1)13-16-14(20-17-13)9-3-5-15-6-4-9/h1-2,7,9,15H,3-6,8H2.
What are the key properties of 3-(1,3-benzodioxol-5-yl)-5-piperidin-4-yl-1,2,4-oxadiazole?
3-(1,3-benzodioxol-5-yl)-5-piperidin-4-yl-1,2,4-oxadiazole has a molecular weight of 273.29 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-5-piperidin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 2761151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).