2-(2,6-dioxopiperidin-3-yl)-4-[[(1,1,1-trifluoro-3-piperidin-4-ylpropan-2-yl)amino]methyl]isoindole-1,3-dione

C22H25F3N4O4 — CID 167741538

IUPAC2-(2,6-dioxopiperidin-3-yl)-4-[[(1,1,1-trifluoro-3-piperidin-4-ylpropan-2-yl)amino]methyl]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cccc(CNC(CC4CCNCC4)C(F)(F)F)c3C2=O)C(=O)N1
InChIInChI=1S/C22H25F3N4O4/c23-22(24,25)16(10-12-6-8-26-9-7-12)27-11-13-2-1-3-14-18(13)21(33)29(20(14)32)15-4-5-17(30)28-19(15)31/h1-3,12,15-16,26-27H,4-11H2,(H,28,30,31)
InChIKeyHJTFOUKQHLAZJK-UHFFFAOYSA-N
MW466.46 g/mol
LogP1.50
Rot. Bonds6

About 2-(2,6-dioxopiperidin-3-yl)-4-[[(1,1,1-trifluoro-3-piperidin-4-ylpropan-2-yl)amino]methyl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-4-[[(1,1,1-trifluoro-3-piperidin-4-ylpropan-2-yl)amino]methyl]isoindole-1,3-dione (PubChem CID 167741538) has the molecular formula C22H25F3N4O4 and a molecular weight of 466.46 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-[[(1,1,1-trifluoro-3-piperidin-4-ylpropan-2-yl)amino]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-4-[[(1,1,1-trifluoro-3-piperidin-4-ylpropan-2-yl)amino]methyl]isoindole-1,3-dione
PubChem CID167741538
Molecular FormulaC22H25F3N4O4
Molecular Weight466.46 g/mol
Exact Mass466.18
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-4-[[(1,1,1-trifluoro-3-piperidin-4-ylpropan-2-yl)amino]methyl]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cccc(CNC(CC4CCNCC4)C(F)(F)F)c3C2=O)C(=O)N1
InChIInChI=1S/C22H25F3N4O4/c23-22(24,25)16(10-12-6-8-26-9-7-12)27-11-13-2-1-3-14-18(13)21(33)29(20(14)32)15-4-5-17(30)28-19(15)31/h1-3,12,15-16,26-27H,4-11H2,(H,28,30,31)
InChIKeyHJTFOUKQHLAZJK-UHFFFAOYSA-N
XLogP1.50
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.46
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(2,6-dioxopiperidin-3-yl)-4-[[(1,1,1-trifluoro-3-piperidin-4-ylpropan-2-yl)amino]methyl]isoindole-1,3-dione with MolForge

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Related Compounds

4-[[(2-amino-3,3,3-trifluoropropyl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167741997
2-(2,6-dioxopiperidin-3-yl)-4-[[4-(2-piperidin-4-ylethyl)piperidin-1-yl]methyl]isoindole-1,3-dione
CID 167718533
4-[(azocan-4-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167735849
2-(2,6-dioxopiperidin-3-yl)-4-[[4-(piperidin-4-ylmethyl)piperazin-1-yl]methyl]isoindole-1,3-dione
CID 167738619
4-[[[(1R)-2-amino-1-cyclohexylethyl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167741064
4-[[[(2S)-1-amino-3-hydroxypropan-2-yl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167742462
2-(2,6-dioxopiperidin-3-yl)-4-[[[(1R,2S)-2-piperidin-4-ylcyclopropyl]amino]methyl]isoindole-1,3-dione
CID 167734806
4-[(3-azaspiro[5.5]undecan-9-ylmethylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167727973
4-[(4-azabicyclo[5.1.0]octan-1-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167721124
2-(2,6-dioxopiperidin-3-yl)-4-[[1-[(2R)-pyrrolidin-2-yl]ethylamino]methyl]isoindole-1,3-dione
CID 167734548
2-(2,6-dioxopiperidin-3-yl)-4-[[[4-(hydroxymethyl)piperidin-4-yl]amino]methyl]isoindole-1,3-dione
CID 167738667
2-(2,6-dioxopiperidin-3-yl)-4-[[(5-piperidin-4-yl-1H-pyrazol-3-yl)amino]methyl]isoindole-1,3-dione
CID 167730434

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[[(1,1,1-trifluoro-3-piperidin-4-ylpropan-2-yl)amino]methyl]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[[(1,1,1-trifluoro-3-piperidin-4-ylpropan-2-yl)amino]methyl]isoindole-1,3-dione (CID 167741538) is 2-(2,6-dioxopiperidin-3-yl)-4-[[(1,1,1-trifluoro-3-piperidin-4-ylpropan-2-yl)amino]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-[[(1,1,1-trifluoro-3-piperidin-4-ylpropan-2-yl)amino]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-[[(1,1,1-trifluoro-3-piperidin-4-ylpropan-2-yl)amino]methyl]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3cccc(CNC(CC4CCNCC4)C(F)(F)F)c3C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-[[(1,1,1-trifluoro-3-piperidin-4-ylpropan-2-yl)amino]methyl]isoindole-1,3-dione?
The InChIKey is HJTFOUKQHLAZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N4O4/c23-22(24,25)16(10-12-6-8-26-9-7-12)27-11-13-2-1-3-14-18(13)21(33)29(20(14)32)15-4-5-17(30)28-19(15)31/h1-3,12,15-16,26-27H,4-11H2,(H,28,30,31).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-[[(1,1,1-trifluoro-3-piperidin-4-ylpropan-2-yl)amino]methyl]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-4-[[(1,1,1-trifluoro-3-piperidin-4-ylpropan-2-yl)amino]methyl]isoindole-1,3-dione has a molecular weight of 466.46 g/mol, XLogP of 1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-4-[[(1,1,1-trifluoro-3-piperidin-4-ylpropan-2-yl)amino]methyl]isoindole-1,3-dione is sourced from PubChem (CID 167741538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).