ethyl 2-(7-fluoro-3-oxospiro[2-benzofuran-1,4'-piperidine]-5-yl)oxyacetate

C16H18FNO5 — CID 138594594

IUPACethyl 2-(7-fluoro-3-oxospiro[2-benzofuran-1,4'-piperidine]-5-yl)oxyacetate
SMILESCCOC(=O)COc1cc(F)c2c(c1)C(=O)OC21CCNCC1
InChIInChI=1S/C16H18FNO5/c1-2-21-13(19)9-22-10-7-11-14(12(17)8-10)16(23-15(11)20)3-5-18-6-4-16/h7-8,18H,2-6,9H2,1H3
InChIKeyMJPQNIQASFALTK-UHFFFAOYSA-N
MW323.32 g/mol
LogP1.52
Rot. Bonds4

About ethyl 2-(7-fluoro-3-oxospiro[2-benzofuran-1,4'-piperidine]-5-yl)oxyacetate

ethyl 2-(7-fluoro-3-oxospiro[2-benzofuran-1,4'-piperidine]-5-yl)oxyacetate (PubChem CID 138594594) has the molecular formula C16H18FNO5 and a molecular weight of 323.32 g/mol. Its IUPAC name is ethyl 2-(7-fluoro-3-oxospiro[2-benzofuran-1,4'-piperidine]-5-yl)oxyacetate.

Molecular Properties

Compound Nameethyl 2-(7-fluoro-3-oxospiro[2-benzofuran-1,4'-piperidine]-5-yl)oxyacetate
PubChem CID138594594
Molecular FormulaC16H18FNO5
Molecular Weight323.32 g/mol
Exact Mass323.12
IUPAC Nameethyl 2-(7-fluoro-3-oxospiro[2-benzofuran-1,4'-piperidine]-5-yl)oxyacetate
SMILESCCOC(=O)COc1cc(F)c2c(c1)C(=O)OC21CCNCC1
InChIInChI=1S/C16H18FNO5/c1-2-21-13(19)9-22-10-7-11-14(12(17)8-10)16(23-15(11)20)3-5-18-6-4-16/h7-8,18H,2-6,9H2,1H3
InChIKeyMJPQNIQASFALTK-UHFFFAOYSA-N
XLogP1.52
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(7-fluoro-3-oxospiro[2-benzofuran-1,4'-piperidine]-5-yl)oxyacetate?
The IUPAC name of ethyl 2-(7-fluoro-3-oxospiro[2-benzofuran-1,4'-piperidine]-5-yl)oxyacetate (CID 138594594) is ethyl 2-(7-fluoro-3-oxospiro[2-benzofuran-1,4'-piperidine]-5-yl)oxyacetate.
What is the SMILES notation for ethyl 2-(7-fluoro-3-oxospiro[2-benzofuran-1,4'-piperidine]-5-yl)oxyacetate?
The canonical SMILES for ethyl 2-(7-fluoro-3-oxospiro[2-benzofuran-1,4'-piperidine]-5-yl)oxyacetate is CCOC(=O)COc1cc(F)c2c(c1)C(=O)OC21CCNCC1.
What is the InChIKey of ethyl 2-(7-fluoro-3-oxospiro[2-benzofuran-1,4'-piperidine]-5-yl)oxyacetate?
The InChIKey is MJPQNIQASFALTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO5/c1-2-21-13(19)9-22-10-7-11-14(12(17)8-10)16(23-15(11)20)3-5-18-6-4-16/h7-8,18H,2-6,9H2,1H3.
What are the key properties of ethyl 2-(7-fluoro-3-oxospiro[2-benzofuran-1,4'-piperidine]-5-yl)oxyacetate?
ethyl 2-(7-fluoro-3-oxospiro[2-benzofuran-1,4'-piperidine]-5-yl)oxyacetate has a molecular weight of 323.32 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(7-fluoro-3-oxospiro[2-benzofuran-1,4'-piperidine]-5-yl)oxyacetate is sourced from PubChem (CID 138594594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).