3-[6-[2-[cyclohexyl(methyl)amino]ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione

C26H30N2O4 — CID 159098526

IUPAC3-[6-[2-[cyclohexyl(methyl)amino]ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione
SMILESCN(CCOc1ccc2cc3occ(C4CCC(=O)NC4=O)c3cc2c1)C1CCCCC1
InChIInChI=1S/C26H30N2O4/c1-28(19-5-3-2-4-6-19)11-12-31-20-8-7-17-15-24-22(14-18(17)13-20)23(16-32-24)21-9-10-25(29)27-26(21)30/h7-8,13-16,19,21H,2-6,9-12H2,1H3,(H,27,29,30)
InChIKeySRSRDOHCSYCBOO-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.75
Rot. Bonds6

About 3-[6-[2-[cyclohexyl(methyl)amino]ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione

3-[6-[2-[cyclohexyl(methyl)amino]ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione (PubChem CID 159098526) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is 3-[6-[2-[cyclohexyl(methyl)amino]ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[2-[cyclohexyl(methyl)amino]ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione
PubChem CID159098526
Molecular FormulaC26H30N2O4
Molecular Weight434.54 g/mol
Exact Mass434.22
IUPAC Name3-[6-[2-[cyclohexyl(methyl)amino]ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione
SMILESCN(CCOc1ccc2cc3occ(C4CCC(=O)NC4=O)c3cc2c1)C1CCCCC1
InChIInChI=1S/C26H30N2O4/c1-28(19-5-3-2-4-6-19)11-12-31-20-8-7-17-15-24-22(14-18(17)13-20)23(16-32-24)21-9-10-25(29)27-26(21)30/h7-8,13-16,19,21H,2-6,9-12H2,1H3,(H,27,29,30)
InChIKeySRSRDOHCSYCBOO-UHFFFAOYSA-N
XLogP4.75
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[6-[2-[cyclohexyl(methyl)amino]ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione with MolForge

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Related Compounds

(3S)-3-[6-[2-(dimethylamino)ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione
CID 159163611
3-[7-[2-[methyl(piperidin-4-yl)amino]ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione
CID 147267812
(3S)-3-[6-(3-methoxyphenoxy)benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione
CID 161047791
carbanide;ethyl 2-(6-hydroxybenzo[f][1]benzofuran-3-yl)acetate;ethyl 2-[6-(2-piperidin-1-ylethoxy)benzo[f][1]benzofuran-3-yl]acetate;3-[6-(2-piperidin-1-ylethoxy)benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione;tungsten
CID 158143795
(3R)-3-furo[3,2-g]quinolin-3-ylpiperidine-2,6-dione
CID 158104093
(4R)-4-[7-[2-[methyl(piperidin-4-yl)amino]ethoxy]benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione
CID 158566264
1-[5-[3-(2,6-dioxopiperidin-3-yl)benzo[f][1]benzofuran-6-yl]oxy-2-fluorophenyl]-3-[6-(2-morpholin-4-ylethoxy)benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione
CID 166651103
(3R)-3-[7-[3-(4-methylpiperazin-1-yl)propoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione
CID 160897263
(4S)-4-[7-[2-[cyclohexyl(methyl)amino]ethoxy]benzo[e][1,2]benzoxazol-1-yl]cyclohexane-1,3-dione
CID 165063320
4-[7-[2-[cyclohexyl(methyl)amino]ethoxy]benzo[e][1,2]benzoxazol-1-yl]cyclohexane-1,3-dione
CID 165038942
tert-butyl 4-[2-[1-(2,6-dioxopiperidin-3-yl)benzo[e][1,2]benzoxazol-7-yl]oxyethyl-methylamino]piperidine-1-carboxylate
CID 161398393
3-benzo[g][1]benzofuran-3-ylpiperidine-2,6-dione
CID 170181374

Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-[cyclohexyl(methyl)amino]ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[2-[cyclohexyl(methyl)amino]ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione (CID 159098526) is 3-[6-[2-[cyclohexyl(methyl)amino]ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[2-[cyclohexyl(methyl)amino]ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[2-[cyclohexyl(methyl)amino]ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione is CN(CCOc1ccc2cc3occ(C4CCC(=O)NC4=O)c3cc2c1)C1CCCCC1.
What is the InChIKey of 3-[6-[2-[cyclohexyl(methyl)amino]ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione?
The InChIKey is SRSRDOHCSYCBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4/c1-28(19-5-3-2-4-6-19)11-12-31-20-8-7-17-15-24-22(14-18(17)13-20)23(16-32-24)21-9-10-25(29)27-26(21)30/h7-8,13-16,19,21H,2-6,9-12H2,1H3,(H,27,29,30).
What are the key properties of 3-[6-[2-[cyclohexyl(methyl)amino]ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione?
3-[6-[2-[cyclohexyl(methyl)amino]ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione has a molecular weight of 434.54 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[2-[cyclohexyl(methyl)amino]ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 159098526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).