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

C21H20FN3O2 — CID 91809759

IUPAC(3-fluorophenyl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCC(Cc2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C21H20FN3O2/c22-18-8-4-7-17(14-18)21(26)25-11-9-15(10-12-25)13-19-23-20(24-27-19)16-5-2-1-3-6-16/h1-8,14-15H,9-13H2
InChIKeyXKRGDGVARGVCEI-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.97
Rot. Bonds4

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

(3-fluorophenyl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone (PubChem CID 91809759) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is (3-fluorophenyl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
PubChem CID91809759
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name(3-fluorophenyl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCC(Cc2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C21H20FN3O2/c22-18-8-4-7-17(14-18)21(26)25-11-9-15(10-12-25)13-19-23-20(24-27-19)16-5-2-1-3-6-16/h1-8,14-15H,9-13H2
InChIKeyXKRGDGVARGVCEI-UHFFFAOYSA-N
XLogP3.97
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone (CID 91809759) is (3-fluorophenyl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone is O=C(c1cccc(F)c1)N1CCC(Cc2nc(-c3ccccc3)no2)CC1.
What is the InChIKey of (3-fluorophenyl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is XKRGDGVARGVCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c22-18-8-4-7-17(14-18)21(26)25-11-9-15(10-12-25)13-19-23-20(24-27-19)16-5-2-1-3-6-16/h1-8,14-15H,9-13H2.
What are the key properties of (3-fluorophenyl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
(3-fluorophenyl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 365.41 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 91809759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).