5-[1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-3-pyridin-3-yl-1,2,4-oxadiazole

C20H22N4O2 — CID 53191909

IUPAC5-[1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCOc1ccc(CN2CCCCC2c2nc(-c3cccnc3)no2)cc1
InChIInChI=1S/C20H22N4O2/c1-25-17-9-7-15(8-10-17)14-24-12-3-2-6-18(24)20-22-19(23-26-20)16-5-4-11-21-13-16/h4-5,7-11,13,18H,2-3,6,12,14H2,1H3
InChIKeySNIXHQYVEIEANG-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.87
Rot. Bonds5

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

5-[1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 53191909) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 5-[1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID53191909
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name5-[1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCOc1ccc(CN2CCCCC2c2nc(-c3cccnc3)no2)cc1
InChIInChI=1S/C20H22N4O2/c1-25-17-9-7-15(8-10-17)14-24-12-3-2-6-18(24)20-22-19(23-26-20)16-5-4-11-21-13-16/h4-5,7-11,13,18H,2-3,6,12,14H2,1H3
InChIKeySNIXHQYVEIEANG-UHFFFAOYSA-N
XLogP3.87
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-3-pyridin-3-yl-1,2,4-oxadiazole (CID 53191909) is 5-[1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-3-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-3-pyridin-3-yl-1,2,4-oxadiazole is COc1ccc(CN2CCCCC2c2nc(-c3cccnc3)no2)cc1.
What is the InChIKey of 5-[1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is SNIXHQYVEIEANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-25-17-9-7-15(8-10-17)14-24-12-3-2-6-18(24)20-22-19(23-26-20)16-5-4-11-21-13-16/h4-5,7-11,13,18H,2-3,6,12,14H2,1H3.
What are the key properties of 5-[1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-3-pyridin-3-yl-1,2,4-oxadiazole?
5-[1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-3-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 350.42 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 53191909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).