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

C17H20FN3O3 — CID 91918432

IUPAC2-(3-fluorophenyl)-1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone
SMILESCOCc1nc(C2CCCN(C(=O)Cc3cccc(F)c3)C2)no1
InChIInChI=1S/C17H20FN3O3/c1-23-11-15-19-17(20-24-15)13-5-3-7-21(10-13)16(22)9-12-4-2-6-14(18)8-12/h2,4,6,8,13H,3,5,7,9-11H2,1H3
InChIKeyVYCNUSYHACJQAE-UHFFFAOYSA-N
MW333.36 g/mol
LogP2.30
Rot. Bonds5

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

2-(3-fluorophenyl)-1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone (PubChem CID 91918432) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone
PubChem CID91918432
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name2-(3-fluorophenyl)-1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone
SMILESCOCc1nc(C2CCCN(C(=O)Cc3cccc(F)c3)C2)no1
InChIInChI=1S/C17H20FN3O3/c1-23-11-15-19-17(20-24-15)13-5-3-7-21(10-13)16(22)9-12-4-2-6-14(18)8-12/h2,4,6,8,13H,3,5,7,9-11H2,1H3
InChIKeyVYCNUSYHACJQAE-UHFFFAOYSA-N
XLogP2.30
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone (CID 91918432) is 2-(3-fluorophenyl)-1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone is COCc1nc(C2CCCN(C(=O)Cc3cccc(F)c3)C2)no1.
What is the InChIKey of 2-(3-fluorophenyl)-1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone?
The InChIKey is VYCNUSYHACJQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-23-11-15-19-17(20-24-15)13-5-3-7-21(10-13)16(22)9-12-4-2-6-14(18)8-12/h2,4,6,8,13H,3,5,7,9-11H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone?
2-(3-fluorophenyl)-1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone has a molecular weight of 333.36 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 91918432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).