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

C20H19FN4O2 — CID 3225915

IUPAC3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCCC(c2nc(-c3ccc(F)cc3)no2)C1
InChIInChI=1S/C20H19FN4O2/c21-16-10-8-14(9-11-16)18-23-19(27-24-18)15-5-4-12-25(13-15)20(26)22-17-6-2-1-3-7-17/h1-3,6-11,15H,4-5,12-13H2,(H,22,26)
InChIKeyCUSGGMYPUDBZKU-UHFFFAOYSA-N
MW366.40 g/mol
LogP4.29
Rot. Bonds3

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

3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide (PubChem CID 3225915) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide
PubChem CID3225915
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCCC(c2nc(-c3ccc(F)cc3)no2)C1
InChIInChI=1S/C20H19FN4O2/c21-16-10-8-14(9-11-16)18-23-19(27-24-18)15-5-4-12-25(13-15)20(26)22-17-6-2-1-3-7-17/h1-3,6-11,15H,4-5,12-13H2,(H,22,26)
InChIKeyCUSGGMYPUDBZKU-UHFFFAOYSA-N
XLogP4.29
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide (CID 3225915) is 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide is O=C(Nc1ccccc1)N1CCCC(c2nc(-c3ccc(F)cc3)no2)C1.
What is the InChIKey of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide?
The InChIKey is CUSGGMYPUDBZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c21-16-10-8-14(9-11-16)18-23-19(27-24-18)15-5-4-12-25(13-15)20(26)22-17-6-2-1-3-7-17/h1-3,6-11,15H,4-5,12-13H2,(H,22,26).
What are the key properties of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide?
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 4.29, 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-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 3225915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).