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

C18H18N4O2S — CID 52952407

IUPAC2-pyridin-3-yl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
SMILESO=C(Cc1cccnc1)N1CCC(c2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C18H18N4O2S/c23-16(11-13-3-1-7-19-12-13)22-8-5-14(6-9-22)18-20-17(21-24-18)15-4-2-10-25-15/h1-4,7,10,12,14H,5-6,8-9,11H2
InChIKeyGAFCKAQGCZOGJA-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.14
Rot. Bonds4

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

2-pyridin-3-yl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone (PubChem CID 52952407) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 2-pyridin-3-yl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-pyridin-3-yl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
PubChem CID52952407
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name2-pyridin-3-yl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
SMILESO=C(Cc1cccnc1)N1CCC(c2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C18H18N4O2S/c23-16(11-13-3-1-7-19-12-13)22-8-5-14(6-9-22)18-20-17(21-24-18)15-4-2-10-25-15/h1-4,7,10,12,14H,5-6,8-9,11H2
InChIKeyGAFCKAQGCZOGJA-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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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-pyridin-3-yl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone (CID 52952407) is 2-pyridin-3-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-3-yl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-pyridin-3-yl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone is O=C(Cc1cccnc1)N1CCC(c2nc(-c3cccs3)no2)CC1.
What is the InChIKey of 2-pyridin-3-yl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
The InChIKey is GAFCKAQGCZOGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c23-16(11-13-3-1-7-19-12-13)22-8-5-14(6-9-22)18-20-17(21-24-18)15-4-2-10-25-15/h1-4,7,10,12,14H,5-6,8-9,11H2.
What are the key properties of 2-pyridin-3-yl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
2-pyridin-3-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-3-yl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 52952407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).