[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[7-fluoro-1-(2-methoxyethyl)indol-3-yl]methanone

C25H28FN3O3 — CID 53259456

IUPAC[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[7-fluoro-1-(2-methoxyethyl)indol-3-yl]methanone
SMILESCOCCn1cc(C(=O)N2CCC3(CC2)COc2ccc(CN)cc23)c2cccc(F)c21
InChIInChI=1S/C25H28FN3O3/c1-31-12-11-29-15-19(18-3-2-4-21(26)23(18)29)24(30)28-9-7-25(8-10-28)16-32-22-6-5-17(14-27)13-20(22)25/h2-6,13,15H,7-12,14,16,27H2,1H3
InChIKeyQWCWDOUEDAUFTM-UHFFFAOYSA-N
MW437.52 g/mol
LogP3.45
Rot. Bonds5

About [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[7-fluoro-1-(2-methoxyethyl)indol-3-yl]methanone

[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[7-fluoro-1-(2-methoxyethyl)indol-3-yl]methanone (PubChem CID 53259456) has the molecular formula C25H28FN3O3 and a molecular weight of 437.52 g/mol. Its IUPAC name is [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[7-fluoro-1-(2-methoxyethyl)indol-3-yl]methanone.

Molecular Properties

Compound Name[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[7-fluoro-1-(2-methoxyethyl)indol-3-yl]methanone
PubChem CID53259456
Molecular FormulaC25H28FN3O3
Molecular Weight437.52 g/mol
Exact Mass437.21
IUPAC Name[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[7-fluoro-1-(2-methoxyethyl)indol-3-yl]methanone
SMILESCOCCn1cc(C(=O)N2CCC3(CC2)COc2ccc(CN)cc23)c2cccc(F)c21
InChIInChI=1S/C25H28FN3O3/c1-31-12-11-29-15-19(18-3-2-4-21(26)23(18)29)24(30)28-9-7-25(8-10-28)16-32-22-6-5-17(14-27)13-20(22)25/h2-6,13,15H,7-12,14,16,27H2,1H3
InChIKeyQWCWDOUEDAUFTM-UHFFFAOYSA-N
XLogP3.45
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[7-fluoro-1-(2-methoxyethyl)indol-3-yl]methanone?
The IUPAC name of [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[7-fluoro-1-(2-methoxyethyl)indol-3-yl]methanone (CID 53259456) is [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[7-fluoro-1-(2-methoxyethyl)indol-3-yl]methanone.
What is the SMILES notation for [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[7-fluoro-1-(2-methoxyethyl)indol-3-yl]methanone?
The canonical SMILES for [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[7-fluoro-1-(2-methoxyethyl)indol-3-yl]methanone is COCCn1cc(C(=O)N2CCC3(CC2)COc2ccc(CN)cc23)c2cccc(F)c21.
What is the InChIKey of [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[7-fluoro-1-(2-methoxyethyl)indol-3-yl]methanone?
The InChIKey is QWCWDOUEDAUFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O3/c1-31-12-11-29-15-19(18-3-2-4-21(26)23(18)29)24(30)28-9-7-25(8-10-28)16-32-22-6-5-17(14-27)13-20(22)25/h2-6,13,15H,7-12,14,16,27H2,1H3.
What are the key properties of [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[7-fluoro-1-(2-methoxyethyl)indol-3-yl]methanone?
[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[7-fluoro-1-(2-methoxyethyl)indol-3-yl]methanone has a molecular weight of 437.52 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[7-fluoro-1-(2-methoxyethyl)indol-3-yl]methanone is sourced from PubChem (CID 53259456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).