3-[7-[2-[methyl(piperidin-4-yl)amino]ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione

C25H29N3O4 — CID 147267812

IUPAC3-[7-[2-[methyl(piperidin-4-yl)amino]ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione
SMILESCN(CCOc1ccc2c(ccc3occ(C4CCC(=O)NC4=O)c32)c1)C1CCNCC1
InChIInChI=1S/C25H29N3O4/c1-28(17-8-10-26-11-9-17)12-13-31-18-3-4-19-16(14-18)2-6-22-24(19)21(15-32-22)20-5-7-23(29)27-25(20)30/h2-4,6,14-15,17,20,26H,5,7-13H2,1H3,(H,27,29,30)
InChIKeyCPVJLYCFOWTLFH-UHFFFAOYSA-N
MW435.52 g/mol
LogP3.17
Rot. Bonds6

About 3-[7-[2-[methyl(piperidin-4-yl)amino]ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione

3-[7-[2-[methyl(piperidin-4-yl)amino]ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione (PubChem CID 147267812) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is 3-[7-[2-[methyl(piperidin-4-yl)amino]ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[7-[2-[methyl(piperidin-4-yl)amino]ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione
PubChem CID147267812
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC Name3-[7-[2-[methyl(piperidin-4-yl)amino]ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione
SMILESCN(CCOc1ccc2c(ccc3occ(C4CCC(=O)NC4=O)c32)c1)C1CCNCC1
InChIInChI=1S/C25H29N3O4/c1-28(17-8-10-26-11-9-17)12-13-31-18-3-4-19-16(14-18)2-6-22-24(19)21(15-32-22)20-5-7-23(29)27-25(20)30/h2-4,6,14-15,17,20,26H,5,7-13H2,1H3,(H,27,29,30)
InChIKeyCPVJLYCFOWTLFH-UHFFFAOYSA-N
XLogP3.17
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4R)-4-[7-[2-[methyl(piperidin-4-yl)amino]ethoxy]benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione
CID 158566264
3-[6-[2-[cyclohexyl(methyl)amino]ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione
CID 159098526
(3R)-3-[7-[3-(4-methylpiperazin-1-yl)propoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione
CID 160897263
(3S)-3-[6-[2-(dimethylamino)ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione
CID 159163611
4-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione
CID 159671008
(4S)-4-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione
CID 158211484
3-[7-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione
CID 147536967
3-(7-bromobenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione
CID 172538516
(4R)-4-[7-[3-(dimethylamino)propoxy]benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione
CID 157367907
tert-butyl 4-[2-[1-[(3S)-2,6-dioxopiperidin-3-yl]benzo[e][1]benzofuran-7-yl]oxyethylamino]piperidine-1-carboxylate
CID 160599860
3-(7-ethenylbenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione
CID 166645438
tert-butyl 4-[2-[1-(2,6-dioxopiperidin-3-yl)benzo[e][1,2]benzoxazol-7-yl]oxyethyl-methylamino]piperidine-1-carboxylate
CID 161398393

Frequently Asked Questions

What is the IUPAC name of 3-[7-[2-[methyl(piperidin-4-yl)amino]ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[7-[2-[methyl(piperidin-4-yl)amino]ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione (CID 147267812) is 3-[7-[2-[methyl(piperidin-4-yl)amino]ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[7-[2-[methyl(piperidin-4-yl)amino]ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[7-[2-[methyl(piperidin-4-yl)amino]ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione is CN(CCOc1ccc2c(ccc3occ(C4CCC(=O)NC4=O)c32)c1)C1CCNCC1.
What is the InChIKey of 3-[7-[2-[methyl(piperidin-4-yl)amino]ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione?
The InChIKey is CPVJLYCFOWTLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-28(17-8-10-26-11-9-17)12-13-31-18-3-4-19-16(14-18)2-6-22-24(19)21(15-32-22)20-5-7-23(29)27-25(20)30/h2-4,6,14-15,17,20,26H,5,7-13H2,1H3,(H,27,29,30).
What are the key properties of 3-[7-[2-[methyl(piperidin-4-yl)amino]ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione?
3-[7-[2-[methyl(piperidin-4-yl)amino]ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione has a molecular weight of 435.52 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[2-[methyl(piperidin-4-yl)amino]ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 147267812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).