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

C23H25N3O5 — CID 3226235

IUPACphenyl-[3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCOc1cc(-c2noc(C3CCCN(C(=O)c4ccccc4)C3)n2)cc(OC)c1OC
InChIInChI=1S/C23H25N3O5/c1-28-18-12-17(13-19(29-2)20(18)30-3)21-24-22(31-25-21)16-10-7-11-26(14-16)23(27)15-8-5-4-6-9-15/h4-6,8-9,12-13,16H,7,10-11,14H2,1-3H3
InChIKeyOWGJEUGYEWDIHB-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.78
Rot. Bonds6

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

phenyl-[3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (PubChem CID 3226235) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is phenyl-[3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
PubChem CID3226235
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC Namephenyl-[3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCOc1cc(-c2noc(C3CCCN(C(=O)c4ccccc4)C3)n2)cc(OC)c1OC
InChIInChI=1S/C23H25N3O5/c1-28-18-12-17(13-19(29-2)20(18)30-3)21-24-22(31-25-21)16-10-7-11-26(14-16)23(27)15-8-5-4-6-9-15/h4-6,8-9,12-13,16H,7,10-11,14H2,1-3H3
InChIKeyOWGJEUGYEWDIHB-UHFFFAOYSA-N
XLogP3.78
TPSA86.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze phenyl-[3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of phenyl-[3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of phenyl-[3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (CID 3226235) is phenyl-[3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for phenyl-[3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for phenyl-[3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is COc1cc(-c2noc(C3CCCN(C(=O)c4ccccc4)C3)n2)cc(OC)c1OC.
What is the InChIKey of phenyl-[3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is OWGJEUGYEWDIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-28-18-12-17(13-19(29-2)20(18)30-3)21-24-22(31-25-21)16-10-7-11-26(14-16)23(27)15-8-5-4-6-9-15/h4-6,8-9,12-13,16H,7,10-11,14H2,1-3H3.
What are the key properties of phenyl-[3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
phenyl-[3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 423.47 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 3226235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).