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

C19H18FNO2 — CID 44574528

IUPAC1'-[(4-fluorophenyl)methyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21
InChIInChI=1S/C19H18FNO2/c20-15-7-5-14(6-8-15)13-21-11-9-19(10-12-21)17-4-2-1-3-16(17)18(22)23-19/h1-8H,9-13H2
InChIKeyFYMVPXHEVZKMBP-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.49
Rot. Bonds2

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

1'-[(4-fluorophenyl)methyl]spiro[2-benzofuran-3,4'-piperidine]-1-one (PubChem CID 44574528) has the molecular formula C19H18FNO2 and a molecular weight of 311.36 g/mol. Its IUPAC name is 1'-[(4-fluorophenyl)methyl]spiro[2-benzofuran-3,4'-piperidine]-1-one.

Molecular Properties

Compound Name1'-[(4-fluorophenyl)methyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
PubChem CID44574528
Molecular FormulaC19H18FNO2
Molecular Weight311.36 g/mol
Exact Mass311.13
IUPAC Name1'-[(4-fluorophenyl)methyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21
InChIInChI=1S/C19H18FNO2/c20-15-7-5-14(6-8-15)13-21-11-9-19(10-12-21)17-4-2-1-3-16(17)18(22)23-19/h1-8H,9-13H2
InChIKeyFYMVPXHEVZKMBP-UHFFFAOYSA-N
XLogP3.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-[(4-fluorophenyl)methyl]spiro[2-benzofuran-3,4'-piperidine]-1-one?
The IUPAC name of 1'-[(4-fluorophenyl)methyl]spiro[2-benzofuran-3,4'-piperidine]-1-one (CID 44574528) is 1'-[(4-fluorophenyl)methyl]spiro[2-benzofuran-3,4'-piperidine]-1-one.
What is the SMILES notation for 1'-[(4-fluorophenyl)methyl]spiro[2-benzofuran-3,4'-piperidine]-1-one?
The canonical SMILES for 1'-[(4-fluorophenyl)methyl]spiro[2-benzofuran-3,4'-piperidine]-1-one is O=C1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21.
What is the InChIKey of 1'-[(4-fluorophenyl)methyl]spiro[2-benzofuran-3,4'-piperidine]-1-one?
The InChIKey is FYMVPXHEVZKMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO2/c20-15-7-5-14(6-8-15)13-21-11-9-19(10-12-21)17-4-2-1-3-16(17)18(22)23-19/h1-8H,9-13H2.
What are the key properties of 1'-[(4-fluorophenyl)methyl]spiro[2-benzofuran-3,4'-piperidine]-1-one?
1'-[(4-fluorophenyl)methyl]spiro[2-benzofuran-3,4'-piperidine]-1-one has a molecular weight of 311.36 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(4-fluorophenyl)methyl]spiro[2-benzofuran-3,4'-piperidine]-1-one is sourced from PubChem (CID 44574528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).