2-(2,6-dioxopiperidin-3-yl)-5-(1-methylpiperidin-4-yl)isoindole-1,3-dione

C19H21N3O4 — CID 165380103

IUPAC2-(2,6-dioxopiperidin-3-yl)-5-(1-methylpiperidin-4-yl)isoindole-1,3-dione
SMILESCN1CCC(c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1
InChIInChI=1S/C19H21N3O4/c1-21-8-6-11(7-9-21)12-2-3-13-14(10-12)19(26)22(18(13)25)15-4-5-16(23)20-17(15)24/h2-3,10-11,15H,4-9H2,1H3,(H,20,23,24)
InChIKeySWEUDGGRYXATPG-UHFFFAOYSA-N
MW355.39 g/mol
LogP0.90
Rot. Bonds2

About 2-(2,6-dioxopiperidin-3-yl)-5-(1-methylpiperidin-4-yl)isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-(1-methylpiperidin-4-yl)isoindole-1,3-dione (PubChem CID 165380103) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-(1-methylpiperidin-4-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-5-(1-methylpiperidin-4-yl)isoindole-1,3-dione
PubChem CID165380103
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-(1-methylpiperidin-4-yl)isoindole-1,3-dione
SMILESCN1CCC(c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1
InChIInChI=1S/C19H21N3O4/c1-21-8-6-11(7-9-21)12-2-3-13-14(10-12)19(26)22(18(13)25)15-4-5-16(23)20-17(15)24/h2-3,10-11,15H,4-9H2,1H3,(H,20,23,24)
InChIKeySWEUDGGRYXATPG-UHFFFAOYSA-N
XLogP0.90
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dioxopiperidin-3-yl)-5-piperidin-4-ylisoindole-1,3-dione;ethane
CID 142367515
2-(2,6-dioxopiperidin-3-yl)-5-[1-(2-piperazin-1-ylethyl)piperidin-4-yl]isoindole-1,3-dione
CID 175835892
2-(2,6-dioxopiperidin-3-yl)-5-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]isoindole-1,3-dione
CID 175951779
tert-butyl 4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-1-carboxylate
CID 134413948
2-(2,6-dioxopiperidin-3-yl)-5-[1-[(4-ethylcyclohexyl)methyl]piperidin-4-yl]isoindole-1,3-dione
CID 175628232
2-(2,6-dioxopiperidin-3-yl)-5-(4-methylpiperazin-1-yl)isoindole-1,3-dione;ethane
CID 171786631
2-(2,6-dioxopiperidin-3-yl)-5-[(4-methylpiperazin-1-yl)methyl]isoindole-1,3-dione
CID 168872542
2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione;ethane
CID 142365131
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-(1-methylpiperidin-4-yl)isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-(1-methylpiperidin-4-yl)isoindole-1,3-dione (CID 165380103) is 2-(2,6-dioxopiperidin-3-yl)-5-(1-methylpiperidin-4-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-(1-methylpiperidin-4-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-(1-methylpiperidin-4-yl)isoindole-1,3-dione is CN1CCC(c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-(1-methylpiperidin-4-yl)isoindole-1,3-dione?
The InChIKey is SWEUDGGRYXATPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-21-8-6-11(7-9-21)12-2-3-13-14(10-12)19(26)22(18(13)25)15-4-5-16(23)20-17(15)24/h2-3,10-11,15H,4-9H2,1H3,(H,20,23,24).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-(1-methylpiperidin-4-yl)isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-5-(1-methylpiperidin-4-yl)isoindole-1,3-dione has a molecular weight of 355.39 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-5-(1-methylpiperidin-4-yl)isoindole-1,3-dione is sourced from PubChem (CID 165380103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).