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

C15H19N3O3S — CID 92610969

IUPAC3-methoxy-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CCC(c2nnc(-c3ccsc3)o2)CC1
InChIInChI=1S/C15H19N3O3S/c1-20-8-4-13(19)18-6-2-11(3-7-18)14-16-17-15(21-14)12-5-9-22-10-12/h5,9-11H,2-4,6-8H2,1H3
InChIKeyYHCSZKMQGATANH-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.54
Rot. Bonds5

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

3-methoxy-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 92610969) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 3-methoxy-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-methoxy-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one
PubChem CID92610969
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name3-methoxy-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CCC(c2nnc(-c3ccsc3)o2)CC1
InChIInChI=1S/C15H19N3O3S/c1-20-8-4-13(19)18-6-2-11(3-7-18)14-16-17-15(21-14)12-5-9-22-10-12/h5,9-11H,2-4,6-8H2,1H3
InChIKeyYHCSZKMQGATANH-UHFFFAOYSA-N
XLogP2.54
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-methoxy-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one (CID 92610969) is 3-methoxy-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-methoxy-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-methoxy-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one is COCCC(=O)N1CCC(c2nnc(-c3ccsc3)o2)CC1.
What is the InChIKey of 3-methoxy-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is YHCSZKMQGATANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-20-8-4-13(19)18-6-2-11(3-7-18)14-16-17-15(21-14)12-5-9-22-10-12/h5,9-11H,2-4,6-8H2,1H3.
What are the key properties of 3-methoxy-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one?
3-methoxy-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 321.40 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 92610969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).