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

C18H22FN3O3 — CID 91907945

IUPAC1-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCCC(c2noc(COc3ccccc3F)n2)C1
InChIInChI=1S/C18H22FN3O3/c1-2-6-17(23)22-10-5-7-13(11-22)18-20-16(25-21-18)12-24-15-9-4-3-8-14(15)19/h3-4,8-9,13H,2,5-7,10-12H2,1H3
InChIKeyQCQZPALLNWWLQR-UHFFFAOYSA-N
MW347.39 g/mol
LogP3.29
Rot. Bonds6

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

1-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]butan-1-one (PubChem CID 91907945) has the molecular formula C18H22FN3O3 and a molecular weight of 347.39 g/mol. Its IUPAC name is 1-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]butan-1-one
PubChem CID91907945
Molecular FormulaC18H22FN3O3
Molecular Weight347.39 g/mol
Exact Mass347.16
IUPAC Name1-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCCC(c2noc(COc3ccccc3F)n2)C1
InChIInChI=1S/C18H22FN3O3/c1-2-6-17(23)22-10-5-7-13(11-22)18-20-16(25-21-18)12-24-15-9-4-3-8-14(15)19/h3-4,8-9,13H,2,5-7,10-12H2,1H3
InChIKeyQCQZPALLNWWLQR-UHFFFAOYSA-N
XLogP3.29
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]butan-1-one (CID 91907945) is 1-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]butan-1-one is CCCC(=O)N1CCCC(c2noc(COc3ccccc3F)n2)C1.
What is the InChIKey of 1-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]butan-1-one?
The InChIKey is QCQZPALLNWWLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3/c1-2-6-17(23)22-10-5-7-13(11-22)18-20-16(25-21-18)12-24-15-9-4-3-8-14(15)19/h3-4,8-9,13H,2,5-7,10-12H2,1H3.
What are the key properties of 1-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]butan-1-one?
1-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]butan-1-one has a molecular weight of 347.39 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 91907945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).