1'-[2-(2-fluorophenoxy)acetyl]spiro[2-benzofuran-3,3'-piperidine]-1-one

C20H18FNO4 — CID 90618475

IUPAC1'-[2-(2-fluorophenoxy)acetyl]spiro[2-benzofuran-3,3'-piperidine]-1-one
SMILESO=C1OC2(CCCN(C(=O)COc3ccccc3F)C2)c2ccccc21
InChIInChI=1S/C20H18FNO4/c21-16-8-3-4-9-17(16)25-12-18(23)22-11-5-10-20(13-22)15-7-2-1-6-14(15)19(24)26-20/h1-4,6-9H,5,10-13H2
InChIKeyUGSMYPGRLQPWBS-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.89
Rot. Bonds3

About 1'-[2-(2-fluorophenoxy)acetyl]spiro[2-benzofuran-3,3'-piperidine]-1-one

1'-[2-(2-fluorophenoxy)acetyl]spiro[2-benzofuran-3,3'-piperidine]-1-one (PubChem CID 90618475) has the molecular formula C20H18FNO4 and a molecular weight of 355.37 g/mol. Its IUPAC name is 1'-[2-(2-fluorophenoxy)acetyl]spiro[2-benzofuran-3,3'-piperidine]-1-one.

Molecular Properties

Compound Name1'-[2-(2-fluorophenoxy)acetyl]spiro[2-benzofuran-3,3'-piperidine]-1-one
PubChem CID90618475
Molecular FormulaC20H18FNO4
Molecular Weight355.37 g/mol
Exact Mass355.12
IUPAC Name1'-[2-(2-fluorophenoxy)acetyl]spiro[2-benzofuran-3,3'-piperidine]-1-one
SMILESO=C1OC2(CCCN(C(=O)COc3ccccc3F)C2)c2ccccc21
InChIInChI=1S/C20H18FNO4/c21-16-8-3-4-9-17(16)25-12-18(23)22-11-5-10-20(13-22)15-7-2-1-6-14(15)19(24)26-20/h1-4,6-9H,5,10-13H2
InChIKeyUGSMYPGRLQPWBS-UHFFFAOYSA-N
XLogP2.89
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-[2-(2-fluorophenoxy)acetyl]spiro[2-benzofuran-3,3'-piperidine]-1-one?
The IUPAC name of 1'-[2-(2-fluorophenoxy)acetyl]spiro[2-benzofuran-3,3'-piperidine]-1-one (CID 90618475) is 1'-[2-(2-fluorophenoxy)acetyl]spiro[2-benzofuran-3,3'-piperidine]-1-one.
What is the SMILES notation for 1'-[2-(2-fluorophenoxy)acetyl]spiro[2-benzofuran-3,3'-piperidine]-1-one?
The canonical SMILES for 1'-[2-(2-fluorophenoxy)acetyl]spiro[2-benzofuran-3,3'-piperidine]-1-one is O=C1OC2(CCCN(C(=O)COc3ccccc3F)C2)c2ccccc21.
What is the InChIKey of 1'-[2-(2-fluorophenoxy)acetyl]spiro[2-benzofuran-3,3'-piperidine]-1-one?
The InChIKey is UGSMYPGRLQPWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO4/c21-16-8-3-4-9-17(16)25-12-18(23)22-11-5-10-20(13-22)15-7-2-1-6-14(15)19(24)26-20/h1-4,6-9H,5,10-13H2.
What are the key properties of 1'-[2-(2-fluorophenoxy)acetyl]spiro[2-benzofuran-3,3'-piperidine]-1-one?
1'-[2-(2-fluorophenoxy)acetyl]spiro[2-benzofuran-3,3'-piperidine]-1-one has a molecular weight of 355.37 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(2-fluorophenoxy)acetyl]spiro[2-benzofuran-3,3'-piperidine]-1-one is sourced from PubChem (CID 90618475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).