1-(3,5-dimethylpiperidin-1-yl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone

C17H20FN3O2S — CID 3154054

IUPAC1-(3,5-dimethylpiperidin-1-yl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
SMILESCC1CC(C)CN(C(=O)CSc2nnc(-c3ccc(F)cc3)o2)C1
InChIInChI=1S/C17H20FN3O2S/c1-11-7-12(2)9-21(8-11)15(22)10-24-17-20-19-16(23-17)13-3-5-14(18)6-4-13/h3-6,11-12H,7-10H2,1-2H3
InChIKeyBKTANHWPWXJYNZ-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.47
Rot. Bonds4

About 1-(3,5-dimethylpiperidin-1-yl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone

1-(3,5-dimethylpiperidin-1-yl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone (PubChem CID 3154054) has the molecular formula C17H20FN3O2S and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
PubChem CID3154054
Molecular FormulaC17H20FN3O2S
Molecular Weight349.43 g/mol
Exact Mass349.13
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
SMILESCC1CC(C)CN(C(=O)CSc2nnc(-c3ccc(F)cc3)o2)C1
InChIInChI=1S/C17H20FN3O2S/c1-11-7-12(2)9-21(8-11)15(22)10-24-17-20-19-16(23-17)13-3-5-14(18)6-4-13/h3-6,11-12H,7-10H2,1-2H3
InChIKeyBKTANHWPWXJYNZ-UHFFFAOYSA-N
XLogP3.47
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone (CID 3154054) is 1-(3,5-dimethylpiperidin-1-yl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone is CC1CC(C)CN(C(=O)CSc2nnc(-c3ccc(F)cc3)o2)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The InChIKey is BKTANHWPWXJYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2S/c1-11-7-12(2)9-21(8-11)15(22)10-24-17-20-19-16(23-17)13-3-5-14(18)6-4-13/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
1-(3,5-dimethylpiperidin-1-yl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone has a molecular weight of 349.43 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone is sourced from PubChem (CID 3154054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).