2-(2,6-dioxopiperidin-3-yl)-5-[(3-piperidin-2-ylmorpholin-4-yl)methyl]isoindole-1,3-dione

C23H28N4O5 — CID 167717369

IUPAC2-(2,6-dioxopiperidin-3-yl)-5-[(3-piperidin-2-ylmorpholin-4-yl)methyl]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(CN4CCOCC4C4CCCCN4)cc3C2=O)C(=O)N1
InChIInChI=1S/C23H28N4O5/c28-20-7-6-18(21(29)25-20)27-22(30)15-5-4-14(11-16(15)23(27)31)12-26-9-10-32-13-19(26)17-3-1-2-8-24-17/h4-5,11,17-19,24H,1-3,6-10,12-13H2,(H,25,28,29)
InChIKeyOWZBWHROCPLVOK-UHFFFAOYSA-N
MW440.50 g/mol
LogP0.43
Rot. Bonds4

About 2-(2,6-dioxopiperidin-3-yl)-5-[(3-piperidin-2-ylmorpholin-4-yl)methyl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[(3-piperidin-2-ylmorpholin-4-yl)methyl]isoindole-1,3-dione (PubChem CID 167717369) has the molecular formula C23H28N4O5 and a molecular weight of 440.50 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[(3-piperidin-2-ylmorpholin-4-yl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-5-[(3-piperidin-2-ylmorpholin-4-yl)methyl]isoindole-1,3-dione
PubChem CID167717369
Molecular FormulaC23H28N4O5
Molecular Weight440.50 g/mol
Exact Mass440.21
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-[(3-piperidin-2-ylmorpholin-4-yl)methyl]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(CN4CCOCC4C4CCCCN4)cc3C2=O)C(=O)N1
InChIInChI=1S/C23H28N4O5/c28-20-7-6-18(21(29)25-20)27-22(30)15-5-4-14(11-16(15)23(27)31)12-26-9-10-32-13-19(26)17-3-1-2-8-24-17/h4-5,11,17-19,24H,1-3,6-10,12-13H2,(H,25,28,29)
InChIKeyOWZBWHROCPLVOK-UHFFFAOYSA-N
XLogP0.43
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-(3,4,4a,5,6,7,8,8a-octahydro-2H-1,5-naphthyridin-1-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167736723
2-(2,6-dioxopiperidin-3-yl)-5-[(2-piperidin-4-ylpyrrolidin-1-yl)methyl]isoindole-1,3-dione
CID 167720796
2-(2,6-dioxopiperidin-3-yl)-5-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]isoindole-1,3-dione
CID 167736784
3-[3-oxo-4-[(3-piperidin-2-ylmorpholin-4-yl)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167741832
5-[[(3aS,6aR)-spiro[3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrole-3,4'-piperidine]-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167730275
2-(2,6-dioxopiperidin-3-yl)-5-(4-oxa-1,9-diazaspiro[5.5]undecan-1-ylmethyl)isoindole-1,3-dione
CID 167719995
2-(2,6-dioxopiperidin-3-yl)-5-(imidazolidin-1-ylmethyl)isoindole-1,3-dione
CID 167715877
2-(2,6-dioxopiperidin-3-yl)-5-[(7-methyl-1,4-diazepan-1-yl)methyl]isoindole-1,3-dione
CID 167716655
5-(2,5-diazaspiro[3.5]nonan-2-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167721268
5-(3,6-diazabicyclo[3.2.1]octan-6-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167734807
2-(2,6-dioxopiperidin-3-yl)-5-[(4-methylpiperazin-1-yl)methyl]isoindole-1,3-dione
CID 168872542
5-(4,8-diazatricyclo[5.2.2.02,6]undecan-8-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167722447

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[(3-piperidin-2-ylmorpholin-4-yl)methyl]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[(3-piperidin-2-ylmorpholin-4-yl)methyl]isoindole-1,3-dione (CID 167717369) is 2-(2,6-dioxopiperidin-3-yl)-5-[(3-piperidin-2-ylmorpholin-4-yl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[(3-piperidin-2-ylmorpholin-4-yl)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[(3-piperidin-2-ylmorpholin-4-yl)methyl]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(CN4CCOCC4C4CCCCN4)cc3C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[(3-piperidin-2-ylmorpholin-4-yl)methyl]isoindole-1,3-dione?
The InChIKey is OWZBWHROCPLVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5/c28-20-7-6-18(21(29)25-20)27-22(30)15-5-4-14(11-16(15)23(27)31)12-26-9-10-32-13-19(26)17-3-1-2-8-24-17/h4-5,11,17-19,24H,1-3,6-10,12-13H2,(H,25,28,29).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[(3-piperidin-2-ylmorpholin-4-yl)methyl]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-5-[(3-piperidin-2-ylmorpholin-4-yl)methyl]isoindole-1,3-dione has a molecular weight of 440.50 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-5-[(3-piperidin-2-ylmorpholin-4-yl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 167717369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).