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

C22H23NO5 — CID 90618202

IUPAC1'-[4-(2-methoxyethoxy)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESCOCCOc1ccc(C(=O)N2CCC3(CC2)OC(=O)c2ccccc23)cc1
InChIInChI=1S/C22H23NO5/c1-26-14-15-27-17-8-6-16(7-9-17)20(24)23-12-10-22(11-13-23)19-5-3-2-4-18(19)21(25)28-22/h2-9H,10-15H2,1H3
InChIKeyLRFNUWYLZRZTSY-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.01
Rot. Bonds5

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

1'-[4-(2-methoxyethoxy)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one (PubChem CID 90618202) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is 1'-[4-(2-methoxyethoxy)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one.

Molecular Properties

Compound Name1'-[4-(2-methoxyethoxy)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
PubChem CID90618202
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC Name1'-[4-(2-methoxyethoxy)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESCOCCOc1ccc(C(=O)N2CCC3(CC2)OC(=O)c2ccccc23)cc1
InChIInChI=1S/C22H23NO5/c1-26-14-15-27-17-8-6-16(7-9-17)20(24)23-12-10-22(11-13-23)19-5-3-2-4-18(19)21(25)28-22/h2-9H,10-15H2,1H3
InChIKeyLRFNUWYLZRZTSY-UHFFFAOYSA-N
XLogP3.01
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1'-(4-phenoxybenzoyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 121142406
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'-[2-(4-methoxyphenoxy)acetyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618226
1'-[4-(trifluoromethyl)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618118
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'-(4-pyrrolidin-1-ylsulfonylbenzoyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 72719196
1'-(4-pyrazin-2-yloxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 72996845
1'-(2-naphthalen-2-yloxyacetyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618218
1'-[1-[4-(2-methoxyethoxy)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66662614
N-[2-oxo-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)ethyl]benzamide
CID 90618254

Frequently Asked Questions

What is the IUPAC name of 1'-[4-(2-methoxyethoxy)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one?
The IUPAC name of 1'-[4-(2-methoxyethoxy)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one (CID 90618202) is 1'-[4-(2-methoxyethoxy)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one.
What is the SMILES notation for 1'-[4-(2-methoxyethoxy)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one?
The canonical SMILES for 1'-[4-(2-methoxyethoxy)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one is COCCOc1ccc(C(=O)N2CCC3(CC2)OC(=O)c2ccccc23)cc1.
What is the InChIKey of 1'-[4-(2-methoxyethoxy)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one?
The InChIKey is LRFNUWYLZRZTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO5/c1-26-14-15-27-17-8-6-16(7-9-17)20(24)23-12-10-22(11-13-23)19-5-3-2-4-18(19)21(25)28-22/h2-9H,10-15H2,1H3.
What are the key properties of 1'-[4-(2-methoxyethoxy)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one?
1'-[4-(2-methoxyethoxy)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one has a molecular weight of 381.43 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[4-(2-methoxyethoxy)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one is sourced from PubChem (CID 90618202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).