1'-[2-[(5-fluoro-1-benzofuran-3-yl)methoxy]ethyl]spiro[1H-2-benzofuran-3,4'-piperidine]

C23H24FNO3 — CID 70090239

IUPAC1'-[2-[(5-fluoro-1-benzofuran-3-yl)methoxy]ethyl]spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESFc1ccc2occ(COCCN3CCC4(CC3)OCc3ccccc34)c2c1
InChIInChI=1S/C23H24FNO3/c24-19-5-6-22-20(13-19)18(15-27-22)14-26-12-11-25-9-7-23(8-10-25)21-4-2-1-3-17(21)16-28-23/h1-6,13,15H,7-12,14,16H2
InChIKeyMTPCMJVSKKSEPY-UHFFFAOYSA-N
MW381.45 g/mol
LogP4.61
Rot. Bonds5

About 1'-[2-[(5-fluoro-1-benzofuran-3-yl)methoxy]ethyl]spiro[1H-2-benzofuran-3,4'-piperidine]

1'-[2-[(5-fluoro-1-benzofuran-3-yl)methoxy]ethyl]spiro[1H-2-benzofuran-3,4'-piperidine] (PubChem CID 70090239) has the molecular formula C23H24FNO3 and a molecular weight of 381.45 g/mol. Its IUPAC name is 1'-[2-[(5-fluoro-1-benzofuran-3-yl)methoxy]ethyl]spiro[1H-2-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Name1'-[2-[(5-fluoro-1-benzofuran-3-yl)methoxy]ethyl]spiro[1H-2-benzofuran-3,4'-piperidine]
PubChem CID70090239
Molecular FormulaC23H24FNO3
Molecular Weight381.45 g/mol
Exact Mass381.17
IUPAC Name1'-[2-[(5-fluoro-1-benzofuran-3-yl)methoxy]ethyl]spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESFc1ccc2occ(COCCN3CCC4(CC3)OCc3ccccc34)c2c1
InChIInChI=1S/C23H24FNO3/c24-19-5-6-22-20(13-19)18(15-27-22)14-26-12-11-25-9-7-23(8-10-25)21-4-2-1-3-17(21)16-28-23/h1-6,13,15H,7-12,14,16H2
InChIKeyMTPCMJVSKKSEPY-UHFFFAOYSA-N
XLogP4.61
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1'-(4-carbazol-9-ylbutyl)spiro[1H-2-benzofuran-3,4'-piperidine]
CID 72722918
N-methyl-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-N-(2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)ethanamine
CID 18700233
1'-ethylspiro[1H-2-benzofuran-3,4'-piperidine]
CID 10036300
1-(4-fluorophenyl)-4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutan-1-ol;oxalic acid
CID 22012237
1-[(5-fluoro-1-benzofuran-3-yl)methyl]-4-methylpiperazine
CID 117174212
2-methylpropanimidoyl 4-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropoxy)-1-benzofuran-2-carboximidate
CID 142029374
1'-[4-(1,2-benzoxazol-3-yl)butyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 22012167
2-[(2-fluoro-5-hydroxyphenyl)methyl]-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropanoic acid
CID 58977963
1'-[(3,4-diethoxyphenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 78321289
ethyl 2-[(2-chlorophenyl)methyl]-3-(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propanoate
CID 69265730
1'-phenylspiro[1H-2-benzofuran-3,4'-piperidine]
CID 86733482
N-(2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine;dihydrochloride
CID 139949793

Frequently Asked Questions

What is the IUPAC name of 1'-[2-[(5-fluoro-1-benzofuran-3-yl)methoxy]ethyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
The IUPAC name of 1'-[2-[(5-fluoro-1-benzofuran-3-yl)methoxy]ethyl]spiro[1H-2-benzofuran-3,4'-piperidine] (CID 70090239) is 1'-[2-[(5-fluoro-1-benzofuran-3-yl)methoxy]ethyl]spiro[1H-2-benzofuran-3,4'-piperidine].
What is the SMILES notation for 1'-[2-[(5-fluoro-1-benzofuran-3-yl)methoxy]ethyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
The canonical SMILES for 1'-[2-[(5-fluoro-1-benzofuran-3-yl)methoxy]ethyl]spiro[1H-2-benzofuran-3,4'-piperidine] is Fc1ccc2occ(COCCN3CCC4(CC3)OCc3ccccc34)c2c1.
What is the InChIKey of 1'-[2-[(5-fluoro-1-benzofuran-3-yl)methoxy]ethyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
The InChIKey is MTPCMJVSKKSEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNO3/c24-19-5-6-22-20(13-19)18(15-27-22)14-26-12-11-25-9-7-23(8-10-25)21-4-2-1-3-17(21)16-28-23/h1-6,13,15H,7-12,14,16H2.
What are the key properties of 1'-[2-[(5-fluoro-1-benzofuran-3-yl)methoxy]ethyl]spiro[1H-2-benzofuran-3,4'-piperidine]?
1'-[2-[(5-fluoro-1-benzofuran-3-yl)methoxy]ethyl]spiro[1H-2-benzofuran-3,4'-piperidine] has a molecular weight of 381.45 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-[(5-fluoro-1-benzofuran-3-yl)methoxy]ethyl]spiro[1H-2-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 70090239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).