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

C18H18N4O2S — CID 52952406

IUPAC2-pyridin-2-yl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccccn1)N1CCC(c2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C18H18N4O2S/c23-16(12-14-4-1-2-8-19-14)22-9-6-13(7-10-22)18-20-17(21-24-18)15-5-3-11-25-15/h1-5,8,11,13H,6-7,9-10,12H2
InChIKeyIAZGAFMCILNGDG-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.14
Rot. Bonds4

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

2-pyridin-2-yl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone (PubChem CID 52952406) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 2-pyridin-2-yl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-pyridin-2-yl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
PubChem CID52952406
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name2-pyridin-2-yl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccccn1)N1CCC(c2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C18H18N4O2S/c23-16(12-14-4-1-2-8-19-14)22-9-6-13(7-10-22)18-20-17(21-24-18)15-5-3-11-25-15/h1-5,8,11,13H,6-7,9-10,12H2
InChIKeyIAZGAFMCILNGDG-UHFFFAOYSA-N
XLogP3.14
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-Pyridyl)-1-[4-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]ethanone
CID 52952408
N-(1-pyridin-3-ylethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18163088
3-(3-Pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-1-one
CID 45894777
1-(3-(3-(Pyrazin-2-yl)-1,2,4-oxadiazol-5-yl)azetidin-1-yl)-2-(thiophen-2-yl)ethanone
CID 49746939
2-(3-Pyridyl)-1-[4-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]ethanone
CID 52952407
1-[4-(3-Methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 56821867
5-acetyl-N-methyl-N-{[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl}-2-thiophenecarboxamide
CID 70746552
(3-((3-(Thiophen-3-yl)-1,2,4-oxadiazol-5-yl)methyl)piperidin-1-yl)(6-(trifluoromethyl)pyridin-3-yl)methanone
CID 90642684
5-Pyridin-4-yl-3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole
CID 92437819
1-[4-(5-Pyridin-4-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 92437857
4-{5-[4-Fluoro-1-(5-methylthiophene-2-carbonyl)piperidin-4-YL]-1,2,4-oxadiazol-3-YL}pyridine
CID 124040609
[p-(1-pyrrolyl)phenyl][(R)-3-{[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl}-1-piperidyl]methanone
CID 100065172

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-pyridin-2-yl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone (CID 52952406) is 2-pyridin-2-yl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-pyridin-2-yl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-pyridin-2-yl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone is O=C(Cc1ccccn1)N1CCC(c2nc(-c3cccs3)no2)CC1.
What is the InChIKey of 2-pyridin-2-yl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
The InChIKey is IAZGAFMCILNGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c23-16(12-14-4-1-2-8-19-14)22-9-6-13(7-10-22)18-20-17(21-24-18)15-5-3-11-25-15/h1-5,8,11,13H,6-7,9-10,12H2.
What are the key properties of 2-pyridin-2-yl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
2-pyridin-2-yl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone has a molecular weight of 354.44 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 52952406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).