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

C25H21NO4 — CID 121142406

IUPAC1'-(4-phenoxybenzoyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)c2ccccc21
InChIInChI=1S/C25H21NO4/c27-23(18-10-12-20(13-11-18)29-19-6-2-1-3-7-19)26-16-14-25(15-17-26)22-9-5-4-8-21(22)24(28)30-25/h1-13H,14-17H2
InChIKeyAAZJRFRHYFQDBK-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.78
Rot. Bonds3

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

1'-(4-phenoxybenzoyl)spiro[2-benzofuran-3,4'-piperidine]-1-one (PubChem CID 121142406) has the molecular formula C25H21NO4 and a molecular weight of 399.45 g/mol. Its IUPAC name is 1'-(4-phenoxybenzoyl)spiro[2-benzofuran-3,4'-piperidine]-1-one.

Molecular Properties

Compound Name1'-(4-phenoxybenzoyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
PubChem CID121142406
Molecular FormulaC25H21NO4
Molecular Weight399.45 g/mol
Exact Mass399.15
IUPAC Name1'-(4-phenoxybenzoyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)c2ccccc21
InChIInChI=1S/C25H21NO4/c27-23(18-10-12-20(13-11-18)29-19-6-2-1-3-7-19)26-16-14-25(15-17-26)22-9-5-4-8-21(22)24(28)30-25/h1-13H,14-17H2
InChIKeyAAZJRFRHYFQDBK-UHFFFAOYSA-N
XLogP4.78
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1'-[4-(2-methoxyethoxy)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618202
1'-[4-(trifluoromethyl)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618118
4-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carbonyl)benzonitrile
CID 90618069
1'-[4-(3-methoxyphenyl)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 72719184
1'-(4-pyrazin-2-yloxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 72996845
(3R)-1'-[3-(4-chlorophenoxy)benzoyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 11560793
1'-(4-pyrrolidin-1-ylsulfonylbenzoyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 72719196
1'-(2-phenoxyacetyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618073
1'-(3-methoxy-2-methylindazole-6-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618189
1'-(5-bromofuran-2-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618264
(4-phenoxyphenyl)-piperidin-1-ylmethanone
CID 112759363
1'-[2-(4-methoxyphenoxy)acetyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618226

Frequently Asked Questions

What is the IUPAC name of 1'-(4-phenoxybenzoyl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The IUPAC name of 1'-(4-phenoxybenzoyl)spiro[2-benzofuran-3,4'-piperidine]-1-one (CID 121142406) is 1'-(4-phenoxybenzoyl)spiro[2-benzofuran-3,4'-piperidine]-1-one.
What is the SMILES notation for 1'-(4-phenoxybenzoyl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The canonical SMILES for 1'-(4-phenoxybenzoyl)spiro[2-benzofuran-3,4'-piperidine]-1-one is O=C1OC2(CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)c2ccccc21.
What is the InChIKey of 1'-(4-phenoxybenzoyl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The InChIKey is AAZJRFRHYFQDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO4/c27-23(18-10-12-20(13-11-18)29-19-6-2-1-3-7-19)26-16-14-25(15-17-26)22-9-5-4-8-21(22)24(28)30-25/h1-13H,14-17H2.
What are the key properties of 1'-(4-phenoxybenzoyl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
1'-(4-phenoxybenzoyl)spiro[2-benzofuran-3,4'-piperidine]-1-one has a molecular weight of 399.45 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-phenoxybenzoyl)spiro[2-benzofuran-3,4'-piperidine]-1-one is sourced from PubChem (CID 121142406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).