[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

C21H23N3O5S — CID 654179

IUPAC[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCCC(c3nc(-c4cccs4)no3)C2)cc(OC)c1OC
InChIInChI=1S/C21H23N3O5S/c1-26-15-10-14(11-16(27-2)18(15)28-3)21(25)24-8-4-6-13(12-24)20-22-19(23-29-20)17-7-5-9-30-17/h5,7,9-11,13H,4,6,8,12H2,1-3H3
InChIKeyDXNIUHGXUAEECR-UHFFFAOYSA-N
MW429.50 g/mol
LogP3.84
Rot. Bonds6

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

[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 654179) has the molecular formula C21H23N3O5S and a molecular weight of 429.50 g/mol. Its IUPAC name is [3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID654179
Molecular FormulaC21H23N3O5S
Molecular Weight429.50 g/mol
Exact Mass429.14
IUPAC Name[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCCC(c3nc(-c4cccs4)no3)C2)cc(OC)c1OC
InChIInChI=1S/C21H23N3O5S/c1-26-15-10-14(11-16(27-2)18(15)28-3)21(25)24-8-4-6-13(12-24)20-22-19(23-29-20)17-7-5-9-30-17/h5,7,9-11,13H,4,6,8,12H2,1-3H3
InChIKeyDXNIUHGXUAEECR-UHFFFAOYSA-N
XLogP3.84
TPSA86.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 654179) is [3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)N2CCCC(c3nc(-c4cccs4)no3)C2)cc(OC)c1OC.
What is the InChIKey of [3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is DXNIUHGXUAEECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S/c1-26-15-10-14(11-16(27-2)18(15)28-3)21(25)24-8-4-6-13(12-24)20-22-19(23-29-20)17-7-5-9-30-17/h5,7,9-11,13H,4,6,8,12H2,1-3H3.
What are the key properties of [3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 429.50 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 654179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).