[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone

C14H17N3O2S — CID 56728135

IUPAC[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone
SMILESCCc1noc(C2CCCCN2C(=O)c2cccs2)n1
InChIInChI=1S/C14H17N3O2S/c1-2-12-15-13(19-16-12)10-6-3-4-8-17(10)14(18)11-7-5-9-20-11/h5,7,9-10H,2-4,6,8H2,1H3
InChIKeyQVJPHEROIDHVEK-UHFFFAOYSA-N
MW291.38 g/mol
LogP3.06
Rot. Bonds3

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

[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 56728135) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is [2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID56728135
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone
SMILESCCc1noc(C2CCCCN2C(=O)c2cccs2)n1
InChIInChI=1S/C14H17N3O2S/c1-2-12-15-13(19-16-12)10-6-3-4-8-17(10)14(18)11-7-5-9-20-11/h5,7,9-10H,2-4,6,8H2,1H3
InChIKeyQVJPHEROIDHVEK-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone (CID 56728135) is [2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone is CCc1noc(C2CCCCN2C(=O)c2cccs2)n1.
What is the InChIKey of [2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is QVJPHEROIDHVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-2-12-15-13(19-16-12)10-6-3-4-8-17(10)14(18)11-7-5-9-20-11/h5,7,9-10H,2-4,6,8H2,1H3.
What are the key properties of [2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 291.38 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 56728135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).