[6-(furan-2-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl]-(3-methoxyphenyl)methanone

C24H23NO5 — CID 126472439

IUPAC[6-(furan-2-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCC3(CC2)OCc2cc(-c4ccco4)ccc2O3)c1
InChIInChI=1S/C24H23NO5/c1-27-20-5-2-4-18(15-20)23(26)25-11-9-24(10-12-25)29-16-19-14-17(7-8-22(19)30-24)21-6-3-13-28-21/h2-8,13-15H,9-12,16H2,1H3
InChIKeyOQTAWYBVWXZODR-UHFFFAOYSA-N
MW405.45 g/mol
LogP4.50
Rot. Bonds3

About [6-(furan-2-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl]-(3-methoxyphenyl)methanone

[6-(furan-2-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl]-(3-methoxyphenyl)methanone (PubChem CID 126472439) has the molecular formula C24H23NO5 and a molecular weight of 405.45 g/mol. Its IUPAC name is [6-(furan-2-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[6-(furan-2-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl]-(3-methoxyphenyl)methanone
PubChem CID126472439
Molecular FormulaC24H23NO5
Molecular Weight405.45 g/mol
Exact Mass405.16
IUPAC Name[6-(furan-2-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCC3(CC2)OCc2cc(-c4ccco4)ccc2O3)c1
InChIInChI=1S/C24H23NO5/c1-27-20-5-2-4-18(15-20)23(26)25-11-9-24(10-12-25)29-16-19-14-17(7-8-22(19)30-24)21-6-3-13-28-21/h2-8,13-15H,9-12,16H2,1H3
InChIKeyOQTAWYBVWXZODR-UHFFFAOYSA-N
XLogP4.50
TPSA61.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [6-(furan-2-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl]-(3-methoxyphenyl)methanone with MolForge

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Related Compounds

2-[6-(furan-2-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carbonyl]cyclobutane-1-carboxylic acid
CID 126472155
1-[6-(4-hydroxyphenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl]ethanone
CID 126473308
[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl] acetate
CID 57224433
1-(6-thiophen-2-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)ethanone
CID 126472139
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
[3-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]phenyl] acetate
CID 108533189
(3,4-difluorophenyl)-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-ylmethanone
CID 126474186
[3-(4-methylpiperazine-1-carbonyl)phenyl] acetate
CID 17308715
(3S)-1-(3-methoxybenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 95020177
[3-(furan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 168524923
6-methoxy-N-[(1R,2S)-2-phenylcyclopropyl]spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide
CID 126472023
8-(3-methoxybenzoyl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 27421170

Frequently Asked Questions

What is the IUPAC name of [6-(furan-2-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [6-(furan-2-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl]-(3-methoxyphenyl)methanone (CID 126472439) is [6-(furan-2-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [6-(furan-2-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [6-(furan-2-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CCC3(CC2)OCc2cc(-c4ccco4)ccc2O3)c1.
What is the InChIKey of [6-(furan-2-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl]-(3-methoxyphenyl)methanone?
The InChIKey is OQTAWYBVWXZODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO5/c1-27-20-5-2-4-18(15-20)23(26)25-11-9-24(10-12-25)29-16-19-14-17(7-8-22(19)30-24)21-6-3-13-28-21/h2-8,13-15H,9-12,16H2,1H3.
What are the key properties of [6-(furan-2-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl]-(3-methoxyphenyl)methanone?
[6-(furan-2-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl]-(3-methoxyphenyl)methanone has a molecular weight of 405.45 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(furan-2-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 126472439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).