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

C21H26N4O5 — CID 167741004

IUPAC2-(2,6-dioxopiperidin-3-yl)-5-[[3-(2-hydroxyethylamino)piperidin-1-yl]methyl]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(CN4CCCC(NCCO)C4)cc3C2=O)C(=O)N1
InChIInChI=1S/C21H26N4O5/c26-9-7-22-14-2-1-8-24(12-14)11-13-3-4-15-16(10-13)21(30)25(20(15)29)17-5-6-18(27)23-19(17)28/h3-4,10,14,17,22,26H,1-2,5-9,11-12H2,(H,23,27,28)
InChIKeyQTWPOFPGRNBFMY-UHFFFAOYSA-N
MW414.46 g/mol
LogP-0.37
Rot. Bonds6

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

2-(2,6-dioxopiperidin-3-yl)-5-[[3-(2-hydroxyethylamino)piperidin-1-yl]methyl]isoindole-1,3-dione (PubChem CID 167741004) has the molecular formula C21H26N4O5 and a molecular weight of 414.46 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[[3-(2-hydroxyethylamino)piperidin-1-yl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-5-[[3-(2-hydroxyethylamino)piperidin-1-yl]methyl]isoindole-1,3-dione
PubChem CID167741004
Molecular FormulaC21H26N4O5
Molecular Weight414.46 g/mol
Exact Mass414.19
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-[[3-(2-hydroxyethylamino)piperidin-1-yl]methyl]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(CN4CCCC(NCCO)C4)cc3C2=O)C(=O)N1
InChIInChI=1S/C21H26N4O5/c26-9-7-22-14-2-1-8-24(12-14)11-13-3-4-15-16(10-13)21(30)25(20(15)29)17-5-6-18(27)23-19(17)28/h3-4,10,14,17,22,26H,1-2,5-9,11-12H2,(H,23,27,28)
InChIKeyQTWPOFPGRNBFMY-UHFFFAOYSA-N
XLogP-0.37
TPSA119.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dioxopiperidin-3-yl)-5-[[4-(2-hydroxyethylamino)piperidin-1-yl]methyl]isoindole-1,3-dione
CID 167730242
2-(2,6-dioxopiperidin-3-yl)-5-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]isoindole-1,3-dione
CID 167736784
5-[(3-aminoazetidin-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167733813
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-(imidazolidin-1-ylmethyl)isoindole-1,3-dione
CID 167715877
5-[[(4aR,8aS)-3-oxo-1,2,4,4a,5,7,8,8a-octahydropyrido[3,4-b]pyrazin-6-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167736404
2-(2,6-dioxopiperidin-3-yl)-5-[(3-piperazin-1-ylazetidin-1-yl)methyl]isoindole-1,3-dione
CID 167720853
5-[(4-amino-3-ethylpiperidin-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167716406
2-(2,6-dioxopiperidin-3-yl)-5-[[4-[2-(methylamino)ethyl]piperidin-1-yl]methyl]isoindole-1,3-dione
CID 167714756
5-[[3-(difluoromethyl)piperazin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167721823
5-(3,4,4a,5,6,7,8,8a-octahydro-1H-2,6-naphthyridin-2-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167731647
2-(2,6-dioxopiperidin-3-yl)-5-[[3-(piperazin-1-ylmethyl)azetidin-1-yl]methyl]isoindole-1,3-dione
CID 167730880

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[[3-(2-hydroxyethylamino)piperidin-1-yl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[[3-(2-hydroxyethylamino)piperidin-1-yl]methyl]isoindole-1,3-dione (CID 167741004) is 2-(2,6-dioxopiperidin-3-yl)-5-[[3-(2-hydroxyethylamino)piperidin-1-yl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[[3-(2-hydroxyethylamino)piperidin-1-yl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[[3-(2-hydroxyethylamino)piperidin-1-yl]methyl]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(CN4CCCC(NCCO)C4)cc3C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[[3-(2-hydroxyethylamino)piperidin-1-yl]methyl]isoindole-1,3-dione?
The InChIKey is QTWPOFPGRNBFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O5/c26-9-7-22-14-2-1-8-24(12-14)11-13-3-4-15-16(10-13)21(30)25(20(15)29)17-5-6-18(27)23-19(17)28/h3-4,10,14,17,22,26H,1-2,5-9,11-12H2,(H,23,27,28).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[[3-(2-hydroxyethylamino)piperidin-1-yl]methyl]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-5-[[3-(2-hydroxyethylamino)piperidin-1-yl]methyl]isoindole-1,3-dione has a molecular weight of 414.46 g/mol, XLogP of -0.37, 6 rotatable bonds, 3 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-(2-hydroxyethylamino)piperidin-1-yl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 167741004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).