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

C25H20FNO3 — CID 121142434

IUPAC1'-[4-(4-fluorophenyl)benzoyl]spiro[2-benzofuran-3,3'-piperidine]-1-one
SMILESO=C1OC2(CCCN(C(=O)c3ccc(-c4ccc(F)cc4)cc3)C2)c2ccccc21
InChIInChI=1S/C25H20FNO3/c26-20-12-10-18(11-13-20)17-6-8-19(9-7-17)23(28)27-15-3-14-25(16-27)22-5-2-1-4-21(22)24(29)30-25/h1-2,4-13H,3,14-16H2
InChIKeyQMOGZFKXAZMLQQ-UHFFFAOYSA-N
MW401.44 g/mol
LogP4.79
Rot. Bonds2

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

1'-[4-(4-fluorophenyl)benzoyl]spiro[2-benzofuran-3,3'-piperidine]-1-one (PubChem CID 121142434) has the molecular formula C25H20FNO3 and a molecular weight of 401.44 g/mol. Its IUPAC name is 1'-[4-(4-fluorophenyl)benzoyl]spiro[2-benzofuran-3,3'-piperidine]-1-one.

Molecular Properties

Compound Name1'-[4-(4-fluorophenyl)benzoyl]spiro[2-benzofuran-3,3'-piperidine]-1-one
PubChem CID121142434
Molecular FormulaC25H20FNO3
Molecular Weight401.44 g/mol
Exact Mass401.14
IUPAC Name1'-[4-(4-fluorophenyl)benzoyl]spiro[2-benzofuran-3,3'-piperidine]-1-one
SMILESO=C1OC2(CCCN(C(=O)c3ccc(-c4ccc(F)cc4)cc3)C2)c2ccccc21
InChIInChI=1S/C25H20FNO3/c26-20-12-10-18(11-13-20)17-6-8-19(9-7-17)23(28)27-15-3-14-25(16-27)22-5-2-1-4-21(22)24(29)30-25/h1-2,4-13H,3,14-16H2
InChIKeyQMOGZFKXAZMLQQ-UHFFFAOYSA-N
XLogP4.79
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-carbonyl)phenyl]acetamide
CID 90618591
1'-[2-(4-fluorophenyl)acetyl]spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 73168203
1'-(4-pyrrolidin-1-ylsulfonylbenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 90618692
1'-(1H-indole-6-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 90618618
1'-(3-iodobenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 90618707
1'-(pyridine-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 90618442
(3S)-1'-(2-methyl-1,3-benzothiazole-6-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 99883017
1'-(3-methylbut-2-enoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 121142469
1-(3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-yl)-4-phenylbutane-1,4-dione
CID 121142455
1'-(1-methyl-6-oxopyridazine-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 72719224
tert-butyl (1S)-3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-carboxylate
CID 99872278
N-tert-butyl-3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-carboxamide
CID 90618714

Frequently Asked Questions

What is the IUPAC name of 1'-[4-(4-fluorophenyl)benzoyl]spiro[2-benzofuran-3,3'-piperidine]-1-one?
The IUPAC name of 1'-[4-(4-fluorophenyl)benzoyl]spiro[2-benzofuran-3,3'-piperidine]-1-one (CID 121142434) is 1'-[4-(4-fluorophenyl)benzoyl]spiro[2-benzofuran-3,3'-piperidine]-1-one.
What is the SMILES notation for 1'-[4-(4-fluorophenyl)benzoyl]spiro[2-benzofuran-3,3'-piperidine]-1-one?
The canonical SMILES for 1'-[4-(4-fluorophenyl)benzoyl]spiro[2-benzofuran-3,3'-piperidine]-1-one is O=C1OC2(CCCN(C(=O)c3ccc(-c4ccc(F)cc4)cc3)C2)c2ccccc21.
What is the InChIKey of 1'-[4-(4-fluorophenyl)benzoyl]spiro[2-benzofuran-3,3'-piperidine]-1-one?
The InChIKey is QMOGZFKXAZMLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FNO3/c26-20-12-10-18(11-13-20)17-6-8-19(9-7-17)23(28)27-15-3-14-25(16-27)22-5-2-1-4-21(22)24(29)30-25/h1-2,4-13H,3,14-16H2.
What are the key properties of 1'-[4-(4-fluorophenyl)benzoyl]spiro[2-benzofuran-3,3'-piperidine]-1-one?
1'-[4-(4-fluorophenyl)benzoyl]spiro[2-benzofuran-3,3'-piperidine]-1-one has a molecular weight of 401.44 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[4-(4-fluorophenyl)benzoyl]spiro[2-benzofuran-3,3'-piperidine]-1-one is sourced from PubChem (CID 121142434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).