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

C20H18FNO4 — CID 72719176

IUPAC1'-[2-(2-fluorophenoxy)acetyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCN(C(=O)COc3ccccc3F)CC2)c2ccccc21
InChIInChI=1S/C20H18FNO4/c21-16-7-3-4-8-17(16)25-13-18(23)22-11-9-20(10-12-22)15-6-2-1-5-14(15)19(24)26-20/h1-8H,9-13H2
InChIKeyCOKBJFKZRZYELH-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.89
Rot. Bonds3

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

1'-[2-(2-fluorophenoxy)acetyl]spiro[2-benzofuran-3,4'-piperidine]-1-one (PubChem CID 72719176) 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-3,4'-piperidine]-1-one.

Molecular Properties

Compound Name1'-[2-(2-fluorophenoxy)acetyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
PubChem CID72719176
Molecular FormulaC20H18FNO4
Molecular Weight355.37 g/mol
Exact Mass355.12
IUPAC Name1'-[2-(2-fluorophenoxy)acetyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCN(C(=O)COc3ccccc3F)CC2)c2ccccc21
InChIInChI=1S/C20H18FNO4/c21-16-7-3-4-8-17(16)25-13-18(23)22-11-9-20(10-12-22)15-6-2-1-5-14(15)19(24)26-20/h1-8H,9-13H2
InChIKeyCOKBJFKZRZYELH-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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Related Compounds

2-[4-(4-Fluorobenzoyl)phenoxy]-1-morpholin-4-ylethanone
CID 2430571
Ethyl 1-[2-(4-benzoylphenoxy)acetyl]piperidine-4-carboxylate
CID 4205254
Ethyl 1-[2-[4-(4-fluorobenzoyl)phenoxy]acetyl]piperidine-3-carboxylate
CID 4661831
1'-(2-(4-Fluorophenoxy)acetyl)spiro[chroman-2,4'-piperidin]-4-one
CID 7260608
(2-Morpholin-4-yl-2-oxoethyl) 2-[(4-fluorophenyl)methoxy]benzoate
CID 9114492
Piperidine, 1-((4-benzoylphenoxy)acetyl)-
CID 3038920
1'-(2-(2-Fluorophenoxy)acetyl)spiro[chroman-2,4'-piperidin]-4-one
CID 7260607
(E)-1-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 8814789
1-(4-{2-[3-(3-Fluoro-4-methoxybenzoyl)-1-piperidinyl]-2-oxoethoxy}phenyl)ethanone
CID 16190879
Ethyl 1-[2-(4-benzoylphenoxy)acetyl]piperidine-3-carboxylate
CID 25163543
Methyl 2-[[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]methyl]benzoate
CID 127027543
Methyl 2-[[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]methyl]benzoate
CID 127031825

Frequently Asked Questions

What is the IUPAC name of 1'-[2-(2-fluorophenoxy)acetyl]spiro[2-benzofuran-3,4'-piperidine]-1-one?
The IUPAC name of 1'-[2-(2-fluorophenoxy)acetyl]spiro[2-benzofuran-3,4'-piperidine]-1-one (CID 72719176) is 1'-[2-(2-fluorophenoxy)acetyl]spiro[2-benzofuran-3,4'-piperidine]-1-one.
What is the SMILES notation for 1'-[2-(2-fluorophenoxy)acetyl]spiro[2-benzofuran-3,4'-piperidine]-1-one?
The canonical SMILES for 1'-[2-(2-fluorophenoxy)acetyl]spiro[2-benzofuran-3,4'-piperidine]-1-one is O=C1OC2(CCN(C(=O)COc3ccccc3F)CC2)c2ccccc21.
What is the InChIKey of 1'-[2-(2-fluorophenoxy)acetyl]spiro[2-benzofuran-3,4'-piperidine]-1-one?
The InChIKey is COKBJFKZRZYELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO4/c21-16-7-3-4-8-17(16)25-13-18(23)22-11-9-20(10-12-22)15-6-2-1-5-14(15)19(24)26-20/h1-8H,9-13H2.
What are the key properties of 1'-[2-(2-fluorophenoxy)acetyl]spiro[2-benzofuran-3,4'-piperidine]-1-one?
1'-[2-(2-fluorophenoxy)acetyl]spiro[2-benzofuran-3,4'-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-3,4'-piperidine]-1-one is sourced from PubChem (CID 72719176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).