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

C21H21NO5 — CID 90618226

IUPAC1'-[2-(4-methoxyphenoxy)acetyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESCOc1ccc(OCC(=O)N2CCC3(CC2)OC(=O)c2ccccc23)cc1
InChIInChI=1S/C21H21NO5/c1-25-15-6-8-16(9-7-15)26-14-19(23)22-12-10-21(11-13-22)18-5-3-2-4-17(18)20(24)27-21/h2-9H,10-14H2,1H3
InChIKeyJJLGLODZBYCSKG-UHFFFAOYSA-N
MW367.40 g/mol
LogP2.76
Rot. Bonds4

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

1'-[2-(4-methoxyphenoxy)acetyl]spiro[2-benzofuran-3,4'-piperidine]-1-one (PubChem CID 90618226) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is 1'-[2-(4-methoxyphenoxy)acetyl]spiro[2-benzofuran-3,4'-piperidine]-1-one.

Molecular Properties

Compound Name1'-[2-(4-methoxyphenoxy)acetyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
PubChem CID90618226
Molecular FormulaC21H21NO5
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC Name1'-[2-(4-methoxyphenoxy)acetyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESCOc1ccc(OCC(=O)N2CCC3(CC2)OC(=O)c2ccccc23)cc1
InChIInChI=1S/C21H21NO5/c1-25-15-6-8-16(9-7-15)26-14-19(23)22-12-10-21(11-13-22)18-5-3-2-4-17(18)20(24)27-21/h2-9H,10-14H2,1H3
InChIKeyJJLGLODZBYCSKG-UHFFFAOYSA-N
XLogP2.76
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1'-(2-phenoxyacetyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618073
1'-(2-naphthalen-2-yloxyacetyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618218
1'-[4-(2-methoxyethoxy)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618202
1'-[2-(4-chlorophenoxy)acetyl]spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 90618501
1'-[2-(4-methoxyphenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585903
6-methoxy-1'-(2-phenoxyacetyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 44770200
1'-[2-(4-methoxyphenoxy)acetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxylic acid
CID 134073522
1'-[4-(3-methoxyphenyl)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 72719184
1'-(4-phenoxybenzoyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 121142406
1'-[3-(3-phenylmethoxyphenyl)propanoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 121142392
5-methoxy-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carboxylic acid
CID 141133258
2-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-2-oxoacetic acid
CID 2050601

Frequently Asked Questions

What is the IUPAC name of 1'-[2-(4-methoxyphenoxy)acetyl]spiro[2-benzofuran-3,4'-piperidine]-1-one?
The IUPAC name of 1'-[2-(4-methoxyphenoxy)acetyl]spiro[2-benzofuran-3,4'-piperidine]-1-one (CID 90618226) is 1'-[2-(4-methoxyphenoxy)acetyl]spiro[2-benzofuran-3,4'-piperidine]-1-one.
What is the SMILES notation for 1'-[2-(4-methoxyphenoxy)acetyl]spiro[2-benzofuran-3,4'-piperidine]-1-one?
The canonical SMILES for 1'-[2-(4-methoxyphenoxy)acetyl]spiro[2-benzofuran-3,4'-piperidine]-1-one is COc1ccc(OCC(=O)N2CCC3(CC2)OC(=O)c2ccccc23)cc1.
What is the InChIKey of 1'-[2-(4-methoxyphenoxy)acetyl]spiro[2-benzofuran-3,4'-piperidine]-1-one?
The InChIKey is JJLGLODZBYCSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5/c1-25-15-6-8-16(9-7-15)26-14-19(23)22-12-10-21(11-13-22)18-5-3-2-4-17(18)20(24)27-21/h2-9H,10-14H2,1H3.
What are the key properties of 1'-[2-(4-methoxyphenoxy)acetyl]spiro[2-benzofuran-3,4'-piperidine]-1-one?
1'-[2-(4-methoxyphenoxy)acetyl]spiro[2-benzofuran-3,4'-piperidine]-1-one has a molecular weight of 367.40 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(4-methoxyphenoxy)acetyl]spiro[2-benzofuran-3,4'-piperidine]-1-one is sourced from PubChem (CID 90618226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).