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

C21H21FN4O3 — CID 3225914

IUPAC3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCCC(c3nc(-c4ccc(F)cc4)no3)C2)cc1
InChIInChI=1S/C21H21FN4O3/c1-28-18-10-8-17(9-11-18)23-21(27)26-12-2-3-15(13-26)20-24-19(25-29-20)14-4-6-16(22)7-5-14/h4-11,15H,2-3,12-13H2,1H3,(H,23,27)
InChIKeyJOKDCROVCPURHX-UHFFFAOYSA-N
MW396.42 g/mol
LogP4.30
Rot. Bonds4

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

3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)piperidine-1-carboxamide (PubChem CID 3225914) has the molecular formula C21H21FN4O3 and a molecular weight of 396.42 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)piperidine-1-carboxamide
PubChem CID3225914
Molecular FormulaC21H21FN4O3
Molecular Weight396.42 g/mol
Exact Mass396.16
IUPAC Name3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCCC(c3nc(-c4ccc(F)cc4)no3)C2)cc1
InChIInChI=1S/C21H21FN4O3/c1-28-18-10-8-17(9-11-18)23-21(27)26-12-2-3-15(13-26)20-24-19(25-29-20)14-4-6-16(22)7-5-14/h4-11,15H,2-3,12-13H2,1H3,(H,23,27)
InChIKeyJOKDCROVCPURHX-UHFFFAOYSA-N
XLogP4.30
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)piperidine-1-carboxamide (CID 3225914) is 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)piperidine-1-carboxamide is COc1ccc(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-methoxyphenyl)piperidine-1-carboxamide?
The InChIKey is JOKDCROVCPURHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3/c1-28-18-10-8-17(9-11-18)23-21(27)26-12-2-3-15(13-26)20-24-19(25-29-20)14-4-6-16(22)7-5-14/h4-11,15H,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-methoxyphenyl)piperidine-1-carboxamide?
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)piperidine-1-carboxamide has a molecular weight of 396.42 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 3225914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).