N-[1-(2,6-dioxopiperidin-3-yl)benzo[e][1]benzofuran-7-yl]-2-piperazin-1-ylacetamide

C23H24N4O4 — CID 177117602

IUPACN-[1-(2,6-dioxopiperidin-3-yl)benzo[e][1]benzofuran-7-yl]-2-piperazin-1-ylacetamide
SMILESO=C1CCC(c2coc3ccc4cc(NC(=O)CN5CCNCC5)ccc4c23)C(=O)N1
InChIInChI=1S/C23H24N4O4/c28-20-6-4-17(23(30)26-20)18-13-31-19-5-1-14-11-15(2-3-16(14)22(18)19)25-21(29)12-27-9-7-24-8-10-27/h1-3,5,11,13,17,24H,4,6-10,12H2,(H,25,29)(H,26,28,30)
InChIKeyZMJCMPSPHMCUGA-UHFFFAOYSA-N
MW420.47 g/mol
LogP1.95
Rot. Bonds4

About N-[1-(2,6-dioxopiperidin-3-yl)benzo[e][1]benzofuran-7-yl]-2-piperazin-1-ylacetamide

N-[1-(2,6-dioxopiperidin-3-yl)benzo[e][1]benzofuran-7-yl]-2-piperazin-1-ylacetamide (PubChem CID 177117602) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[1-(2,6-dioxopiperidin-3-yl)benzo[e][1]benzofuran-7-yl]-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-[1-(2,6-dioxopiperidin-3-yl)benzo[e][1]benzofuran-7-yl]-2-piperazin-1-ylacetamide
PubChem CID177117602
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC NameN-[1-(2,6-dioxopiperidin-3-yl)benzo[e][1]benzofuran-7-yl]-2-piperazin-1-ylacetamide
SMILESO=C1CCC(c2coc3ccc4cc(NC(=O)CN5CCNCC5)ccc4c23)C(=O)N1
InChIInChI=1S/C23H24N4O4/c28-20-6-4-17(23(30)26-20)18-13-31-19-5-1-14-11-15(2-3-16(14)22(18)19)25-21(29)12-27-9-7-24-8-10-27/h1-3,5,11,13,17,24H,4,6-10,12H2,(H,25,29)(H,26,28,30)
InChIKeyZMJCMPSPHMCUGA-UHFFFAOYSA-N
XLogP1.95
TPSA103.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[1-[(3R)-2,6-dioxopiperidin-3-yl]benzo[e][1]benzofuran-7-yl]carbamate
CID 158099480
N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-piperazin-1-ylacetamide
CID 171406891
(3S)-3-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione
CID 158099478
3-(7-bromobenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione
CID 172538516
3-(7-ethenylbenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione
CID 166645438
3-[7-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione
CID 147536967
2-[4-[2-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]ethyl]piperazin-1-yl]-N-[1-(2,6-dioxopiperidin-3-yl)benzo[e][1]benzofuran-7-yl]acetamide
CID 171725580
(3R)-3-[7-[3-(4-methylpiperazin-1-yl)propoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione
CID 160897263
3-[7-[2-[methyl(piperidin-4-yl)amino]ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione
CID 147267812
tert-butyl 4-[2-[1-[(3S)-2,6-dioxopiperidin-3-yl]benzo[e][1]benzofuran-7-yl]oxyethylamino]piperidine-1-carboxylate
CID 160599860
3-(5-amino-1-benzofuran-3-yl)piperidine-2,6-dione;bis(2-amino-N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]acetamide);N-[3-(2,6-dioxopiperidin-3-yl)-1-benzofuran-5-yl]propanamide
CID 167687873
N-[1-[(3S)-2,6-dioxopiperidin-3-yl]benzo[e][1,2]benzoxazol-7-yl]acetamide
CID 166649115

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-dioxopiperidin-3-yl)benzo[e][1]benzofuran-7-yl]-2-piperazin-1-ylacetamide?
The IUPAC name of N-[1-(2,6-dioxopiperidin-3-yl)benzo[e][1]benzofuran-7-yl]-2-piperazin-1-ylacetamide (CID 177117602) is N-[1-(2,6-dioxopiperidin-3-yl)benzo[e][1]benzofuran-7-yl]-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-[1-(2,6-dioxopiperidin-3-yl)benzo[e][1]benzofuran-7-yl]-2-piperazin-1-ylacetamide?
The canonical SMILES for N-[1-(2,6-dioxopiperidin-3-yl)benzo[e][1]benzofuran-7-yl]-2-piperazin-1-ylacetamide is O=C1CCC(c2coc3ccc4cc(NC(=O)CN5CCNCC5)ccc4c23)C(=O)N1.
What is the InChIKey of N-[1-(2,6-dioxopiperidin-3-yl)benzo[e][1]benzofuran-7-yl]-2-piperazin-1-ylacetamide?
The InChIKey is ZMJCMPSPHMCUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c28-20-6-4-17(23(30)26-20)18-13-31-19-5-1-14-11-15(2-3-16(14)22(18)19)25-21(29)12-27-9-7-24-8-10-27/h1-3,5,11,13,17,24H,4,6-10,12H2,(H,25,29)(H,26,28,30).
What are the key properties of N-[1-(2,6-dioxopiperidin-3-yl)benzo[e][1]benzofuran-7-yl]-2-piperazin-1-ylacetamide?
N-[1-(2,6-dioxopiperidin-3-yl)benzo[e][1]benzofuran-7-yl]-2-piperazin-1-ylacetamide has a molecular weight of 420.47 g/mol, XLogP of 1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dioxopiperidin-3-yl)benzo[e][1]benzofuran-7-yl]-2-piperazin-1-ylacetamide is sourced from PubChem (CID 177117602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).