1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one

C14H17N3O2S — CID 24803933

IUPAC1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(c2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C14H17N3O2S/c1-2-12(18)17-7-5-10(6-8-17)14-15-13(16-19-14)11-4-3-9-20-11/h3-4,9-10H,2,5-8H2,1H3
InChIKeyAWEYUOOVEVDLFB-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.91
Rot. Bonds3

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

1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one (PubChem CID 24803933) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
PubChem CID24803933
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(c2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C14H17N3O2S/c1-2-12(18)17-7-5-10(6-8-17)14-15-13(16-19-14)11-4-3-9-20-11/h3-4,9-10H,2,5-8H2,1H3
InChIKeyAWEYUOOVEVDLFB-UHFFFAOYSA-N
XLogP2.91
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one (CID 24803933) is 1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(c2nc(-c3cccs3)no2)CC1.
What is the InChIKey of 1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one?
The InChIKey is AWEYUOOVEVDLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-2-12(18)17-7-5-10(6-8-17)14-15-13(16-19-14)11-4-3-9-20-11/h3-4,9-10H,2,5-8H2,1H3.
What are the key properties of 1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one?
1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one has a molecular weight of 291.38 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 24803933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).