(3-fluorophenyl)-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-3-ylmethanone;[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-4-ylmethanone

C58H54FN11O9 — CID 87707478

About (3-fluorophenyl)-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-3-ylmethanone;[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-4-ylmethanone

(3-fluorophenyl)-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-3-ylmethanone;[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 87707478) has the molecular formula C58H54FN11O9 and a molecular weight of 1068.14 g/mol. Its IUPAC name is (3-fluorophenyl)-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-3-ylmethanone;[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

• Compound Name: (3-fluorophenyl)-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-3-ylmethanone;[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-4-ylmethanone
• PubChem CID: 87707478
• Molecular Formula: C58H54FN11O9
• Molecular Weight: 1068.14 g/mol
• Exact Mass: 1067.41
• IUPAC Name: (3-fluorophenyl)-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-3-ylmethanone;[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-4-ylmethanone
• SMILES: O=C(c1cccc(F)c1)N1CCC[C@H](c2nc(Oc3ccccc3)no2)C1.O=C(c1cccnc1)N1CCC[C@H](c2nc(Oc3ccccc3)no2)C1.O=C(c1ccncc1)N1CCC[C@H](c2nc(Oc3ccccc3)no2)C1
• InChI: InChI=1S/C20H18FN3O3.2C19H18N4O3/c21-16-8-4-6-14(12-16)19(25)24-11-5-7-15(13-24)18-22-20(23-27-18)26-17-9-2-1-3-10-17;24-18(14-6-4-10-20-12-14)23-11-5-7-15(13-23)17-21-19(22-26-17)25-16-8-2-1-3-9-16;24-18(14-8-10-20-11-9-14)23-12-4-5-15(13-23)17-21-19(22-26-17)25-16-6-2-1-3-7-16/h1-4,6,8-10,12,15H,5,7,11,13H2;1-4,6,8-10,12,15H,5,7,11,13H2;1-3,6-11,15H,4-5,12-13H2/t3*15-/m000/s1
• InChIKey: GUVBGMYTOGVBTJ-KQEWGCBPSA-N
• XLogP: 10.57
• TPSA: 231.16 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 12
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1068.14
LogP ≤ 5	10.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-3-ylmethanone;[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-4-ylmethanone?

The IUPAC name of (3-fluorophenyl)-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-3-ylmethanone;[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-4-ylmethanone (CID 87707478) is (3-fluorophenyl)-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-3-ylmethanone;[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-4-ylmethanone.

What is the SMILES notation for (3-fluorophenyl)-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-3-ylmethanone;[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-4-ylmethanone?

The canonical SMILES for (3-fluorophenyl)-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-3-ylmethanone;[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-4-ylmethanone is O=C(c1cccc(F)c1)N1CCC[C@H](c2nc(Oc3ccccc3)no2)C1.O=C(c1cccnc1)N1CCC[C@H](c2nc(Oc3ccccc3)no2)C1.O=C(c1ccncc1)N1CCC[C@H](c2nc(Oc3ccccc3)no2)C1.

What is the InChIKey of (3-fluorophenyl)-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-3-ylmethanone;[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-4-ylmethanone?

The InChIKey is GUVBGMYTOGVBTJ-KQEWGCBPSA-N. The full InChI is InChI=1S/C20H18FN3O3.2C19H18N4O3/c21-16-8-4-6-14(12-16)19(25)24-11-5-7-15(13-24)18-22-20(23-27-18)26-17-9-2-1-3-10-17;24-18(14-6-4-10-20-12-14)23-11-5-7-15(13-23)17-21-19(22-26-17)25-16-8-2-1-3-9-16;24-18(14-8-10-20-11-9-14)23-12-4-5-15(13-23)17-21-19(22-26-17)25-16-6-2-1-3-7-16/h1-4,6,8-10,12,15H,5,7,11,13H2;1-4,6,8-10,12,15H,5,7,11,13H2;1-3,6-11,15H,4-5,12-13H2/t3*15-/m000/s1.

What are the key properties of (3-fluorophenyl)-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-3-ylmethanone;[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-4-ylmethanone?

(3-fluorophenyl)-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-3-ylmethanone;[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 1068.14 g/mol, XLogP of 10.57, 12 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for (3-fluorophenyl)-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-3-ylmethanone;[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 87707478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).