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

C24H21NO4 — CID 90618218

IUPAC1'-(2-naphthalen-2-yloxyacetyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCN(C(=O)COc3ccc4ccccc4c3)CC2)c2ccccc21
InChIInChI=1S/C24H21NO4/c26-22(16-28-19-10-9-17-5-1-2-6-18(17)15-19)25-13-11-24(12-14-25)21-8-4-3-7-20(21)23(27)29-24/h1-10,15H,11-14,16H2
InChIKeyAOLMQGOZRPBVRN-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.91
Rot. Bonds3

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

1'-(2-naphthalen-2-yloxyacetyl)spiro[2-benzofuran-3,4'-piperidine]-1-one (PubChem CID 90618218) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is 1'-(2-naphthalen-2-yloxyacetyl)spiro[2-benzofuran-3,4'-piperidine]-1-one.

Molecular Properties

Compound Name1'-(2-naphthalen-2-yloxyacetyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
PubChem CID90618218
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Name1'-(2-naphthalen-2-yloxyacetyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCN(C(=O)COc3ccc4ccccc4c3)CC2)c2ccccc21
InChIInChI=1S/C24H21NO4/c26-22(16-28-19-10-9-17-5-1-2-6-18(17)15-19)25-13-11-24(12-14-25)21-8-4-3-7-20(21)23(27)29-24/h1-10,15H,11-14,16H2
InChIKeyAOLMQGOZRPBVRN-UHFFFAOYSA-N
XLogP3.91
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.91
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-phenoxyacetyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618073
1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-2-naphthalen-2-yloxyethanone
CID 90510476
1-(3-cyclopropyl-3-hydroxypyrrolidin-1-yl)-2-naphthalen-2-yloxyethanone
CID 167777037
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
2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;hydrochloride
CID 119400066
1'-[4-(2-methoxyethoxy)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618202
1'-(4-phenoxybenzoyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 121142406
ethyl 4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxylate
CID 846270
4-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-4-oxobutanoate
CID 2050458
1-[4-(benzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-naphthalen-2-yloxyethanone
CID 22584242

Frequently Asked Questions

What is the IUPAC name of 1'-(2-naphthalen-2-yloxyacetyl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The IUPAC name of 1'-(2-naphthalen-2-yloxyacetyl)spiro[2-benzofuran-3,4'-piperidine]-1-one (CID 90618218) is 1'-(2-naphthalen-2-yloxyacetyl)spiro[2-benzofuran-3,4'-piperidine]-1-one.
What is the SMILES notation for 1'-(2-naphthalen-2-yloxyacetyl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The canonical SMILES for 1'-(2-naphthalen-2-yloxyacetyl)spiro[2-benzofuran-3,4'-piperidine]-1-one is O=C1OC2(CCN(C(=O)COc3ccc4ccccc4c3)CC2)c2ccccc21.
What is the InChIKey of 1'-(2-naphthalen-2-yloxyacetyl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The InChIKey is AOLMQGOZRPBVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4/c26-22(16-28-19-10-9-17-5-1-2-6-18(17)15-19)25-13-11-24(12-14-25)21-8-4-3-7-20(21)23(27)29-24/h1-10,15H,11-14,16H2.
What are the key properties of 1'-(2-naphthalen-2-yloxyacetyl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
1'-(2-naphthalen-2-yloxyacetyl)spiro[2-benzofuran-3,4'-piperidine]-1-one has a molecular weight of 387.44 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-naphthalen-2-yloxyacetyl)spiro[2-benzofuran-3,4'-piperidine]-1-one is sourced from PubChem (CID 90618218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).