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

C21H21FN4O2 — CID 3225916

IUPAC3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCCC(c3nc(-c4ccc(F)cc4)no3)C2)cc1
InChIInChI=1S/C21H21FN4O2/c1-14-4-10-18(11-5-14)23-21(27)26-12-2-3-16(13-26)20-24-19(25-28-20)15-6-8-17(22)9-7-15/h4-11,16H,2-3,12-13H2,1H3,(H,23,27)
InChIKeyLVGWQDXUFPNKRK-UHFFFAOYSA-N
MW380.42 g/mol
LogP4.60
Rot. Bonds3

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

3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-1-carboxamide (PubChem CID 3225916) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-1-carboxamide
PubChem CID3225916
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCCC(c3nc(-c4ccc(F)cc4)no3)C2)cc1
InChIInChI=1S/C21H21FN4O2/c1-14-4-10-18(11-5-14)23-21(27)26-12-2-3-16(13-26)20-24-19(25-28-20)15-6-8-17(22)9-7-15/h4-11,16H,2-3,12-13H2,1H3,(H,23,27)
InChIKeyLVGWQDXUFPNKRK-UHFFFAOYSA-N
XLogP4.60
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-1-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 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-1-carboxamide (CID 3225916) is 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCCC(c3nc(-c4ccc(F)cc4)no3)C2)cc1.
What is the InChIKey of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-1-carboxamide?
The InChIKey is LVGWQDXUFPNKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-14-4-10-18(11-5-14)23-21(27)26-12-2-3-16(13-26)20-24-19(25-28-20)15-6-8-17(22)9-7-15/h4-11,16H,2-3,12-13H2,1H3,(H,23,27).
What are the key properties of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-1-carboxamide?
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-1-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 3225916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).