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

C26H23NO4 — CID 72719184

IUPAC1'-[4-(3-methoxyphenyl)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESCOc1cccc(-c2ccc(C(=O)N3CCC4(CC3)OC(=O)c3ccccc34)cc2)c1
InChIInChI=1S/C26H23NO4/c1-30-21-6-4-5-20(17-21)18-9-11-19(12-10-18)24(28)27-15-13-26(14-16-27)23-8-3-2-7-22(23)25(29)31-26/h2-12,17H,13-16H2,1H3
InChIKeyPNSLWNRLXIIQKL-UHFFFAOYSA-N
MW413.47 g/mol
LogP4.66
Rot. Bonds3

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

1'-[4-(3-methoxyphenyl)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one (PubChem CID 72719184) has the molecular formula C26H23NO4 and a molecular weight of 413.47 g/mol. Its IUPAC name is 1'-[4-(3-methoxyphenyl)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one.

Molecular Properties

Compound Name1'-[4-(3-methoxyphenyl)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
PubChem CID72719184
Molecular FormulaC26H23NO4
Molecular Weight413.47 g/mol
Exact Mass413.16
IUPAC Name1'-[4-(3-methoxyphenyl)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESCOc1cccc(-c2ccc(C(=O)N3CCC4(CC3)OC(=O)c3ccccc34)cc2)c1
InChIInChI=1S/C26H23NO4/c1-30-21-6-4-5-20(17-21)18-9-11-19(12-10-18)24(28)27-15-13-26(14-16-27)23-8-3-2-7-22(23)25(29)31-26/h2-12,17H,13-16H2,1H3
InChIKeyPNSLWNRLXIIQKL-UHFFFAOYSA-N
XLogP4.66
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1'-(4-phenoxybenzoyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 121142406
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'-(3-methoxy-2-methylindazole-6-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618189
1'-[2-(4-methoxyphenoxy)acetyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618226
1'-(4-pyrrolidin-1-ylsulfonylbenzoyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 72719196
(3R)-1'-(2-chloro-4-phenylbenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 90853215
1'-(4-methoxy-2-methylphenyl)sulfonylspiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618368
1'-[4-(4-fluorophenyl)benzoyl]spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 121142434
(3R)-1'-[3-(4-chlorophenoxy)benzoyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 11560793
1'-(2-phenoxyacetyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618073

Frequently Asked Questions

What is the IUPAC name of 1'-[4-(3-methoxyphenyl)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one?
The IUPAC name of 1'-[4-(3-methoxyphenyl)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one (CID 72719184) is 1'-[4-(3-methoxyphenyl)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one.
What is the SMILES notation for 1'-[4-(3-methoxyphenyl)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one?
The canonical SMILES for 1'-[4-(3-methoxyphenyl)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one is COc1cccc(-c2ccc(C(=O)N3CCC4(CC3)OC(=O)c3ccccc34)cc2)c1.
What is the InChIKey of 1'-[4-(3-methoxyphenyl)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one?
The InChIKey is PNSLWNRLXIIQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO4/c1-30-21-6-4-5-20(17-21)18-9-11-19(12-10-18)24(28)27-15-13-26(14-16-27)23-8-3-2-7-22(23)25(29)31-26/h2-12,17H,13-16H2,1H3.
What are the key properties of 1'-[4-(3-methoxyphenyl)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one?
1'-[4-(3-methoxyphenyl)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one has a molecular weight of 413.47 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[4-(3-methoxyphenyl)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one is sourced from PubChem (CID 72719184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).