3-benzyl-5-(4-methoxypiperidin-4-yl)-1,2,4-oxadiazole

C15H19N3O2 — CID 100656099

IUPAC3-benzyl-5-(4-methoxypiperidin-4-yl)-1,2,4-oxadiazole
SMILESCOC1(c2nc(Cc3ccccc3)no2)CCNCC1
InChIInChI=1S/C15H19N3O2/c1-19-15(7-9-16-10-8-15)14-17-13(18-20-14)11-12-5-3-2-4-6-12/h2-6,16H,7-11H2,1H3
InChIKeyIESMTPXBTJCQOT-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.89
Rot. Bonds4

About 3-benzyl-5-(4-methoxypiperidin-4-yl)-1,2,4-oxadiazole

3-benzyl-5-(4-methoxypiperidin-4-yl)-1,2,4-oxadiazole (PubChem CID 100656099) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-benzyl-5-(4-methoxypiperidin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-benzyl-5-(4-methoxypiperidin-4-yl)-1,2,4-oxadiazole
PubChem CID100656099
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-benzyl-5-(4-methoxypiperidin-4-yl)-1,2,4-oxadiazole
SMILESCOC1(c2nc(Cc3ccccc3)no2)CCNCC1
InChIInChI=1S/C15H19N3O2/c1-19-15(7-9-16-10-8-15)14-17-13(18-20-14)11-12-5-3-2-4-6-12/h2-6,16H,7-11H2,1H3
InChIKeyIESMTPXBTJCQOT-UHFFFAOYSA-N
XLogP1.89
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 63123739
4-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol
CID 106950128
(2S)-1-[4-(3-benzyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-3-methoxy-2-methylpropan-1-one
CID 129482326
3-benzyl-5-[4-methoxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole
CID 128973495
5-[4-(methoxymethyl)piperidin-4-yl]-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole;hydrochloride
CID 120838673
[4-(3-benzyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 128973667
3-(2-chlorophenyl)-5-(4-methoxypiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride
CID 119999951
3-[4-(3-benzyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-1-cyclopropylpyrazin-2-one
CID 128973625
5-(4-ethylpiperidin-4-yl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole
CID 63125817
3-[(2-chlorophenyl)methyl]-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole
CID 120834343
3-[(2-methylphenyl)methyl]-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 63124252
5-[4-(methoxymethyl)piperidin-4-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 120836392

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(4-methoxypiperidin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-benzyl-5-(4-methoxypiperidin-4-yl)-1,2,4-oxadiazole (CID 100656099) is 3-benzyl-5-(4-methoxypiperidin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-benzyl-5-(4-methoxypiperidin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-benzyl-5-(4-methoxypiperidin-4-yl)-1,2,4-oxadiazole is COC1(c2nc(Cc3ccccc3)no2)CCNCC1.
What is the InChIKey of 3-benzyl-5-(4-methoxypiperidin-4-yl)-1,2,4-oxadiazole?
The InChIKey is IESMTPXBTJCQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-19-15(7-9-16-10-8-15)14-17-13(18-20-14)11-12-5-3-2-4-6-12/h2-6,16H,7-11H2,1H3.
What are the key properties of 3-benzyl-5-(4-methoxypiperidin-4-yl)-1,2,4-oxadiazole?
3-benzyl-5-(4-methoxypiperidin-4-yl)-1,2,4-oxadiazole has a molecular weight of 273.34 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-(4-methoxypiperidin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 100656099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).