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

C16H18FN3O3 — CID 71227279

IUPACmethyl 2-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetate
SMILESCOC(=O)CN1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1
InChIInChI=1S/C16H18FN3O3/c1-22-14(21)10-20-8-6-12(7-9-20)16-19-18-15(23-16)11-2-4-13(17)5-3-11/h2-5,12H,6-10H2,1H3
InChIKeyCGTDOFPVFOFNQB-UHFFFAOYSA-N
MW319.34 g/mol
LogP2.23
Rot. Bonds4

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

methyl 2-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetate (PubChem CID 71227279) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is methyl 2-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetate
PubChem CID71227279
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC Namemethyl 2-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetate
SMILESCOC(=O)CN1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1
InChIInChI=1S/C16H18FN3O3/c1-22-14(21)10-20-8-6-12(7-9-20)16-19-18-15(23-16)11-2-4-13(17)5-3-11/h2-5,12H,6-10H2,1H3
InChIKeyCGTDOFPVFOFNQB-UHFFFAOYSA-N
XLogP2.23
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetate?
The IUPAC name of methyl 2-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetate (CID 71227279) is methyl 2-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetate is COC(=O)CN1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1.
What is the InChIKey of methyl 2-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetate?
The InChIKey is CGTDOFPVFOFNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3/c1-22-14(21)10-20-8-6-12(7-9-20)16-19-18-15(23-16)11-2-4-13(17)5-3-11/h2-5,12H,6-10H2,1H3.
What are the key properties of methyl 2-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetate?
methyl 2-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetate has a molecular weight of 319.34 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetate is sourced from PubChem (CID 71227279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).