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

C17H20FN3O3 — CID 72838295

IUPAC1-[(3-fluorophenyl)methyl]-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
SMILESCOCCc1noc(C2CCC(=O)N(Cc3cccc(F)c3)C2)n1
InChIInChI=1S/C17H20FN3O3/c1-23-8-7-15-19-17(24-20-15)13-5-6-16(22)21(11-13)10-12-3-2-4-14(18)9-12/h2-4,9,13H,5-8,10-11H2,1H3
InChIKeyVCTRXXIBSDLIPL-UHFFFAOYSA-N
MW333.36 g/mol
LogP2.30
Rot. Bonds6

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

1-[(3-fluorophenyl)methyl]-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one (PubChem CID 72838295) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
PubChem CID72838295
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name1-[(3-fluorophenyl)methyl]-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
SMILESCOCCc1noc(C2CCC(=O)N(Cc3cccc(F)c3)C2)n1
InChIInChI=1S/C17H20FN3O3/c1-23-8-7-15-19-17(24-20-15)13-5-6-16(22)21(11-13)10-12-3-2-4-14(18)9-12/h2-4,9,13H,5-8,10-11H2,1H3
InChIKeyVCTRXXIBSDLIPL-UHFFFAOYSA-N
XLogP2.30
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
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 1-[(3-fluorophenyl)methyl]-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one (CID 72838295) is 1-[(3-fluorophenyl)methyl]-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one is COCCc1noc(C2CCC(=O)N(Cc3cccc(F)c3)C2)n1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one?
The InChIKey is VCTRXXIBSDLIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-23-8-7-15-19-17(24-20-15)13-5-6-16(22)21(11-13)10-12-3-2-4-14(18)9-12/h2-4,9,13H,5-8,10-11H2,1H3.
What are the key properties of 1-[(3-fluorophenyl)methyl]-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one?
1-[(3-fluorophenyl)methyl]-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one has a molecular weight of 333.36 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one is sourced from PubChem (CID 72838295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).