1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide

C23H25FN4O4 — CID 15987630

IUPAC1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(-c2noc(N3CCC(C(=O)Nc4ccc(C)c(F)c4)CC3)n2)cc1OC
InChIInChI=1S/C23H25FN4O4/c1-14-4-6-17(13-18(14)24)25-22(29)15-8-10-28(11-9-15)23-26-21(27-32-23)16-5-7-19(30-2)20(12-16)31-3/h4-7,12-13,15H,8-11H2,1-3H3,(H,25,29)
InChIKeyWVZAWMMCHCLFGA-UHFFFAOYSA-N
MW440.48 g/mol
LogP4.06
Rot. Bonds6

About 1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide

1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide (PubChem CID 15987630) has the molecular formula C23H25FN4O4 and a molecular weight of 440.48 g/mol. Its IUPAC name is 1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide
PubChem CID15987630
Molecular FormulaC23H25FN4O4
Molecular Weight440.48 g/mol
Exact Mass440.19
IUPAC Name1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(-c2noc(N3CCC(C(=O)Nc4ccc(C)c(F)c4)CC3)n2)cc1OC
InChIInChI=1S/C23H25FN4O4/c1-14-4-6-17(13-18(14)24)25-22(29)15-8-10-28(11-9-15)23-26-21(27-32-23)16-5-7-19(30-2)20(12-16)31-3/h4-7,12-13,15H,8-11H2,1-3H3,(H,25,29)
InChIKeyWVZAWMMCHCLFGA-UHFFFAOYSA-N
XLogP4.06
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide 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 1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide (CID 15987630) is 1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide is COc1ccc(-c2noc(N3CCC(C(=O)Nc4ccc(C)c(F)c4)CC3)n2)cc1OC.
What is the InChIKey of 1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide?
The InChIKey is WVZAWMMCHCLFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O4/c1-14-4-6-17(13-18(14)24)25-22(29)15-8-10-28(11-9-15)23-26-21(27-32-23)16-5-7-19(30-2)20(12-16)31-3/h4-7,12-13,15H,8-11H2,1-3H3,(H,25,29).
What are the key properties of 1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide?
1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide has a molecular weight of 440.48 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 15987630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).