3-methyl-5-[2-(4-pyrazol-1-ylpiperidin-1-yl)-6-azaspiro[3.4]octan-6-yl]-1,2,4-oxadiazole

C18H26N6O — CID 146279175

IUPAC3-methyl-5-[2-(4-pyrazol-1-ylpiperidin-1-yl)-6-azaspiro[3.4]octan-6-yl]-1,2,4-oxadiazole
SMILESCc1noc(N2CCC3(CC(N4CCC(n5cccn5)CC4)C3)C2)n1
InChIInChI=1S/C18H26N6O/c1-14-20-17(25-21-14)23-10-5-18(13-23)11-16(12-18)22-8-3-15(4-9-22)24-7-2-6-19-24/h2,6-7,15-16H,3-5,8-13H2,1H3
InChIKeyMIBJKUUVELZNJP-UHFFFAOYSA-N
MW342.45 g/mol
LogP2.27
Rot. Bonds3

About 3-methyl-5-[2-(4-pyrazol-1-ylpiperidin-1-yl)-6-azaspiro[3.4]octan-6-yl]-1,2,4-oxadiazole

3-methyl-5-[2-(4-pyrazol-1-ylpiperidin-1-yl)-6-azaspiro[3.4]octan-6-yl]-1,2,4-oxadiazole (PubChem CID 146279175) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 3-methyl-5-[2-(4-pyrazol-1-ylpiperidin-1-yl)-6-azaspiro[3.4]octan-6-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[2-(4-pyrazol-1-ylpiperidin-1-yl)-6-azaspiro[3.4]octan-6-yl]-1,2,4-oxadiazole
PubChem CID146279175
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name3-methyl-5-[2-(4-pyrazol-1-ylpiperidin-1-yl)-6-azaspiro[3.4]octan-6-yl]-1,2,4-oxadiazole
SMILESCc1noc(N2CCC3(CC(N4CCC(n5cccn5)CC4)C3)C2)n1
InChIInChI=1S/C18H26N6O/c1-14-20-17(25-21-14)23-10-5-18(13-23)11-16(12-18)22-8-3-15(4-9-22)24-7-2-6-19-24/h2,6-7,15-16H,3-5,8-13H2,1H3
InChIKeyMIBJKUUVELZNJP-UHFFFAOYSA-N
XLogP2.27
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-(4-pyrazol-1-ylpiperidin-1-yl)-6-azaspiro[3.4]octan-6-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[2-(4-pyrazol-1-ylpiperidin-1-yl)-6-azaspiro[3.4]octan-6-yl]-1,2,4-oxadiazole (CID 146279175) is 3-methyl-5-[2-(4-pyrazol-1-ylpiperidin-1-yl)-6-azaspiro[3.4]octan-6-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[2-(4-pyrazol-1-ylpiperidin-1-yl)-6-azaspiro[3.4]octan-6-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[2-(4-pyrazol-1-ylpiperidin-1-yl)-6-azaspiro[3.4]octan-6-yl]-1,2,4-oxadiazole is Cc1noc(N2CCC3(CC(N4CCC(n5cccn5)CC4)C3)C2)n1.
What is the InChIKey of 3-methyl-5-[2-(4-pyrazol-1-ylpiperidin-1-yl)-6-azaspiro[3.4]octan-6-yl]-1,2,4-oxadiazole?
The InChIKey is MIBJKUUVELZNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-14-20-17(25-21-14)23-10-5-18(13-23)11-16(12-18)22-8-3-15(4-9-22)24-7-2-6-19-24/h2,6-7,15-16H,3-5,8-13H2,1H3.
What are the key properties of 3-methyl-5-[2-(4-pyrazol-1-ylpiperidin-1-yl)-6-azaspiro[3.4]octan-6-yl]-1,2,4-oxadiazole?
3-methyl-5-[2-(4-pyrazol-1-ylpiperidin-1-yl)-6-azaspiro[3.4]octan-6-yl]-1,2,4-oxadiazole has a molecular weight of 342.45 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-(4-pyrazol-1-ylpiperidin-1-yl)-6-azaspiro[3.4]octan-6-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 146279175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).