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

C20H19NO4 — CID 90618073

IUPAC1'-(2-phenoxyacetyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCN(C(=O)COc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C20H19NO4/c22-18(14-24-15-6-2-1-3-7-15)21-12-10-20(11-13-21)17-9-5-4-8-16(17)19(23)25-20/h1-9H,10-14H2
InChIKeyFRZMVSQWSIMZSN-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.75
Rot. Bonds3

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

1'-(2-phenoxyacetyl)spiro[2-benzofuran-3,4'-piperidine]-1-one (PubChem CID 90618073) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1'-(2-phenoxyacetyl)spiro[2-benzofuran-3,4'-piperidine]-1-one.

Molecular Properties

Compound Name1'-(2-phenoxyacetyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
PubChem CID90618073
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name1'-(2-phenoxyacetyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCN(C(=O)COc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C20H19NO4/c22-18(14-24-15-6-2-1-3-7-15)21-12-10-20(11-13-21)17-9-5-4-8-16(17)19(23)25-20/h1-9H,10-14H2
InChIKeyFRZMVSQWSIMZSN-UHFFFAOYSA-N
XLogP2.75
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1'-[2-(4-methoxyphenoxy)acetyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618226
1'-(2-naphthalen-2-yloxyacetyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618218
1'-[2-(4-chlorophenoxy)acetyl]spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 90618501
1'-[3-(3-phenylmethoxyphenyl)propanoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 121142392
1'-(4-phenoxybenzoyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 121142406
1-(6-azaspiro[2.5]octan-6-yl)-2-phenoxyethanone
CID 97399323
1'-[4-(2-methoxyethoxy)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618202
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
6-methoxy-1'-(2-phenoxyacetyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 44770200
1'-[4-(3-methoxyphenyl)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 72719184
4-(oxan-4-ylmethyl)-9-(2-phenoxyacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
CID 134810750
2,6-difluoro-N-[3-oxo-3-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)propyl]benzenesulfonamide
CID 90618159

Frequently Asked Questions

What is the IUPAC name of 1'-(2-phenoxyacetyl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The IUPAC name of 1'-(2-phenoxyacetyl)spiro[2-benzofuran-3,4'-piperidine]-1-one (CID 90618073) is 1'-(2-phenoxyacetyl)spiro[2-benzofuran-3,4'-piperidine]-1-one.
What is the SMILES notation for 1'-(2-phenoxyacetyl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The canonical SMILES for 1'-(2-phenoxyacetyl)spiro[2-benzofuran-3,4'-piperidine]-1-one is O=C1OC2(CCN(C(=O)COc3ccccc3)CC2)c2ccccc21.
What is the InChIKey of 1'-(2-phenoxyacetyl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The InChIKey is FRZMVSQWSIMZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c22-18(14-24-15-6-2-1-3-7-15)21-12-10-20(11-13-21)17-9-5-4-8-16(17)19(23)25-20/h1-9H,10-14H2.
What are the key properties of 1'-(2-phenoxyacetyl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
1'-(2-phenoxyacetyl)spiro[2-benzofuran-3,4'-piperidine]-1-one has a molecular weight of 337.38 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-phenoxyacetyl)spiro[2-benzofuran-3,4'-piperidine]-1-one is sourced from PubChem (CID 90618073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).