2-phenyl-1-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone

C20H20N4O2 — CID 92574380

IUPAC2-phenyl-1-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CCC(c2nnc(-c3ccccn3)o2)CC1
InChIInChI=1S/C20H20N4O2/c25-18(14-15-6-2-1-3-7-15)24-12-9-16(10-13-24)19-22-23-20(26-19)17-8-4-5-11-21-17/h1-8,11,16H,9-10,12-14H2
InChIKeyRGNRZXRZQBKWQL-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.08
Rot. Bonds4

About 2-phenyl-1-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone

2-phenyl-1-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 92574380) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-phenyl-1-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-phenyl-1-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
PubChem CID92574380
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name2-phenyl-1-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CCC(c2nnc(-c3ccccn3)o2)CC1
InChIInChI=1S/C20H20N4O2/c25-18(14-15-6-2-1-3-7-15)24-12-9-16(10-13-24)19-22-23-20(26-19)17-8-4-5-11-21-17/h1-8,11,16H,9-10,12-14H2
InChIKeyRGNRZXRZQBKWQL-UHFFFAOYSA-N
XLogP3.08
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-phenyl-1-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone (CID 92574380) is 2-phenyl-1-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-phenyl-1-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-phenyl-1-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone is O=C(Cc1ccccc1)N1CCC(c2nnc(-c3ccccn3)o2)CC1.
What is the InChIKey of 2-phenyl-1-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is RGNRZXRZQBKWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-18(14-15-6-2-1-3-7-15)24-12-9-16(10-13-24)19-22-23-20(26-19)17-8-4-5-11-21-17/h1-8,11,16H,9-10,12-14H2.
What are the key properties of 2-phenyl-1-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone?
2-phenyl-1-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 348.41 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 92574380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).