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

C20H22N4O2 — CID 92575373

IUPAC2-[1-(2-phenoxyethyl)piperidin-4-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESc1ccc(OCCN2CCC(c3nnc(-c4cccnc4)o3)CC2)cc1
InChIInChI=1S/C20H22N4O2/c1-2-6-18(7-3-1)25-14-13-24-11-8-16(9-12-24)19-22-23-20(26-19)17-5-4-10-21-15-17/h1-7,10,15-16H,8-9,11-14H2
InChIKeyKPZSLAKAPNRAHQ-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.39
Rot. Bonds6

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

2-[1-(2-phenoxyethyl)piperidin-4-yl]-5-pyridin-3-yl-1,3,4-oxadiazole (PubChem CID 92575373) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[1-(2-phenoxyethyl)piperidin-4-yl]-5-pyridin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(2-phenoxyethyl)piperidin-4-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
PubChem CID92575373
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-[1-(2-phenoxyethyl)piperidin-4-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESc1ccc(OCCN2CCC(c3nnc(-c4cccnc4)o3)CC2)cc1
InChIInChI=1S/C20H22N4O2/c1-2-6-18(7-3-1)25-14-13-24-11-8-16(9-12-24)19-22-23-20(26-19)17-5-4-10-21-15-17/h1-7,10,15-16H,8-9,11-14H2
InChIKeyKPZSLAKAPNRAHQ-UHFFFAOYSA-N
XLogP3.39
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-phenoxyethyl)piperidin-4-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(2-phenoxyethyl)piperidin-4-yl]-5-pyridin-3-yl-1,3,4-oxadiazole (CID 92575373) is 2-[1-(2-phenoxyethyl)piperidin-4-yl]-5-pyridin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(2-phenoxyethyl)piperidin-4-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(2-phenoxyethyl)piperidin-4-yl]-5-pyridin-3-yl-1,3,4-oxadiazole is c1ccc(OCCN2CCC(c3nnc(-c4cccnc4)o3)CC2)cc1.
What is the InChIKey of 2-[1-(2-phenoxyethyl)piperidin-4-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The InChIKey is KPZSLAKAPNRAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-2-6-18(7-3-1)25-14-13-24-11-8-16(9-12-24)19-22-23-20(26-19)17-5-4-10-21-15-17/h1-7,10,15-16H,8-9,11-14H2.
What are the key properties of 2-[1-(2-phenoxyethyl)piperidin-4-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
2-[1-(2-phenoxyethyl)piperidin-4-yl]-5-pyridin-3-yl-1,3,4-oxadiazole has a molecular weight of 350.42 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-phenoxyethyl)piperidin-4-yl]-5-pyridin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 92575373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).