1'-[2-(4-fluorophenyl)acetyl]spiro[2-benzofuran-3,4'-piperidine]-1-one

C20H18FNO3 — CID 72719172

IUPAC1'-[2-(4-fluorophenyl)acetyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCN(C(=O)Cc3ccc(F)cc3)CC2)c2ccccc21
InChIInChI=1S/C20H18FNO3/c21-15-7-5-14(6-8-15)13-18(23)22-11-9-20(10-12-22)17-4-2-1-3-16(17)19(24)25-20/h1-8H,9-13H2
InChIKeyCEWPTRMJJWHEBS-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.06
Rot. Bonds2

About 1'-[2-(4-fluorophenyl)acetyl]spiro[2-benzofuran-3,4'-piperidine]-1-one

1'-[2-(4-fluorophenyl)acetyl]spiro[2-benzofuran-3,4'-piperidine]-1-one (PubChem CID 72719172) has the molecular formula C20H18FNO3 and a molecular weight of 339.37 g/mol. Its IUPAC name is 1'-[2-(4-fluorophenyl)acetyl]spiro[2-benzofuran-3,4'-piperidine]-1-one.

Molecular Properties

Compound Name1'-[2-(4-fluorophenyl)acetyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
PubChem CID72719172
Molecular FormulaC20H18FNO3
Molecular Weight339.37 g/mol
Exact Mass339.13
IUPAC Name1'-[2-(4-fluorophenyl)acetyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCN(C(=O)Cc3ccc(F)cc3)CC2)c2ccccc21
InChIInChI=1S/C20H18FNO3/c21-15-7-5-14(6-8-15)13-18(23)22-11-9-20(10-12-22)17-4-2-1-3-16(17)19(24)25-20/h1-8H,9-13H2
InChIKeyCEWPTRMJJWHEBS-UHFFFAOYSA-N
XLogP3.06
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1'-[2-(4-fluorophenyl)acetyl]spiro[2-benzofuran-3,4'-piperidine]-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1'-[2-(4-fluorophenyl)acetyl]spiro[2-benzofuran-3,4'-piperidine]-1-one?
The IUPAC name of 1'-[2-(4-fluorophenyl)acetyl]spiro[2-benzofuran-3,4'-piperidine]-1-one (CID 72719172) is 1'-[2-(4-fluorophenyl)acetyl]spiro[2-benzofuran-3,4'-piperidine]-1-one.
What is the SMILES notation for 1'-[2-(4-fluorophenyl)acetyl]spiro[2-benzofuran-3,4'-piperidine]-1-one?
The canonical SMILES for 1'-[2-(4-fluorophenyl)acetyl]spiro[2-benzofuran-3,4'-piperidine]-1-one is O=C1OC2(CCN(C(=O)Cc3ccc(F)cc3)CC2)c2ccccc21.
What is the InChIKey of 1'-[2-(4-fluorophenyl)acetyl]spiro[2-benzofuran-3,4'-piperidine]-1-one?
The InChIKey is CEWPTRMJJWHEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO3/c21-15-7-5-14(6-8-15)13-18(23)22-11-9-20(10-12-22)17-4-2-1-3-16(17)19(24)25-20/h1-8H,9-13H2.
What are the key properties of 1'-[2-(4-fluorophenyl)acetyl]spiro[2-benzofuran-3,4'-piperidine]-1-one?
1'-[2-(4-fluorophenyl)acetyl]spiro[2-benzofuran-3,4'-piperidine]-1-one has a molecular weight of 339.37 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(4-fluorophenyl)acetyl]spiro[2-benzofuran-3,4'-piperidine]-1-one is sourced from PubChem (CID 72719172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).