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

C15H19N3O2S — CID 52952409

IUPAC1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(c2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C15H19N3O2S/c1-2-4-13(19)18-8-6-11(7-9-18)15-16-14(17-20-15)12-5-3-10-21-12/h3,5,10-11H,2,4,6-9H2,1H3
InChIKeyVAHMTZHVEIFDDF-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.30
Rot. Bonds4

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

1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one (PubChem CID 52952409) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
PubChem CID52952409
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(c2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C15H19N3O2S/c1-2-4-13(19)18-8-6-11(7-9-18)15-16-14(17-20-15)12-5-3-10-21-12/h3,5,10-11H,2,4,6-9H2,1H3
InChIKeyVAHMTZHVEIFDDF-UHFFFAOYSA-N
XLogP3.30
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.30
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]butan-1-one?
The IUPAC name of 1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one (CID 52952409) is 1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one is CCCC(=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]butan-1-one?
The InChIKey is VAHMTZHVEIFDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-2-4-13(19)18-8-6-11(7-9-18)15-16-14(17-20-15)12-5-3-10-21-12/h3,5,10-11H,2,4,6-9H2,1H3.
What are the key properties of 1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one?
1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one has a molecular weight of 305.40 g/mol, XLogP of 3.30, 4 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]butan-1-one is sourced from PubChem (CID 52952409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).