2-cyclopropyl-1-[(3R)-3-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidin-1-yl]ethanone

C20H24FN3O2 — CID 164636292

IUPAC2-cyclopropyl-1-[(3R)-3-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidin-1-yl]ethanone
SMILESO=C(CC1CC1)N1CCC[C@H](CCc2noc(-c3ccc(F)cc3)n2)C1
InChIInChI=1S/C20H24FN3O2/c21-17-8-6-16(7-9-17)20-22-18(23-26-20)10-5-15-2-1-11-24(13-15)19(25)12-14-3-4-14/h6-9,14-15H,1-5,10-13H2/t15-/m1/s1
InChIKeyOQCPCLGSCKOLTM-OAHLLOKOSA-N
MW357.43 g/mol
LogP3.85
Rot. Bonds6

About 2-cyclopropyl-1-[(3R)-3-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidin-1-yl]ethanone

2-cyclopropyl-1-[(3R)-3-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidin-1-yl]ethanone (PubChem CID 164636292) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 2-cyclopropyl-1-[(3R)-3-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[(3R)-3-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidin-1-yl]ethanone
PubChem CID164636292
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name2-cyclopropyl-1-[(3R)-3-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidin-1-yl]ethanone
SMILESO=C(CC1CC1)N1CCC[C@H](CCc2noc(-c3ccc(F)cc3)n2)C1
InChIInChI=1S/C20H24FN3O2/c21-17-8-6-16(7-9-17)20-22-18(23-26-20)10-5-15-2-1-11-24(13-15)19(25)12-14-3-4-14/h6-9,14-15H,1-5,10-13H2/t15-/m1/s1
InChIKeyOQCPCLGSCKOLTM-OAHLLOKOSA-N
XLogP3.85
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[(3R)-3-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[(3R)-3-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidin-1-yl]ethanone (CID 164636292) is 2-cyclopropyl-1-[(3R)-3-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[(3R)-3-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[(3R)-3-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidin-1-yl]ethanone is O=C(CC1CC1)N1CCC[C@H](CCc2noc(-c3ccc(F)cc3)n2)C1.
What is the InChIKey of 2-cyclopropyl-1-[(3R)-3-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidin-1-yl]ethanone?
The InChIKey is OQCPCLGSCKOLTM-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24FN3O2/c21-17-8-6-16(7-9-17)20-22-18(23-26-20)10-5-15-2-1-11-24(13-15)19(25)12-14-3-4-14/h6-9,14-15H,1-5,10-13H2/t15-/m1/s1.
What are the key properties of 2-cyclopropyl-1-[(3R)-3-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidin-1-yl]ethanone?
2-cyclopropyl-1-[(3R)-3-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidin-1-yl]ethanone has a molecular weight of 357.43 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[(3R)-3-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 164636292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).