3-benzyl-5-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole

C16H21N3O — CID 47038088

IUPAC3-benzyl-5-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCC1CCCCN1Cc1nc(Cc2ccccc2)no1
InChIInChI=1S/C16H21N3O/c1-13-7-5-6-10-19(13)12-16-17-15(18-20-16)11-14-8-3-2-4-9-14/h2-4,8-9,13H,5-7,10-12H2,1H3
InChIKeyWDALFHKAJAVJLP-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.03
Rot. Bonds4

About 3-benzyl-5-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole

3-benzyl-5-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 47038088) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-benzyl-5-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-benzyl-5-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID47038088
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name3-benzyl-5-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCC1CCCCN1Cc1nc(Cc2ccccc2)no1
InChIInChI=1S/C16H21N3O/c1-13-7-5-6-10-19(13)12-16-17-15(18-20-16)11-14-8-3-2-4-9-14/h2-4,8-9,13H,5-7,10-12H2,1H3
InChIKeyWDALFHKAJAVJLP-UHFFFAOYSA-N
XLogP3.03
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-benzyl-5-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole (CID 47038088) is 3-benzyl-5-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-benzyl-5-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-benzyl-5-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole is CC1CCCCN1Cc1nc(Cc2ccccc2)no1.
What is the InChIKey of 3-benzyl-5-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is WDALFHKAJAVJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-13-7-5-6-10-19(13)12-16-17-15(18-20-16)11-14-8-3-2-4-9-14/h2-4,8-9,13H,5-7,10-12H2,1H3.
What are the key properties of 3-benzyl-5-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole?
3-benzyl-5-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 271.36 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 47038088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).