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

C23H28N4O4 — CID 167719477

IUPAC2-(2,6-dioxopiperidin-3-yl)-4-[[methyl-(1-piperidin-2-ylcyclopropyl)amino]methyl]isoindole-1,3-dione
SMILESCN(Cc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)C1(C2CCCCN2)CC1
InChIInChI=1S/C23H28N4O4/c1-26(23(10-11-23)17-7-2-3-12-24-17)13-14-5-4-6-15-19(14)22(31)27(21(15)30)16-8-9-18(28)25-20(16)29/h4-6,16-17,24H,2-3,7-13H2,1H3,(H,25,28,29)
InChIKeyMRMOCWMEXXTXKY-UHFFFAOYSA-N
MW424.50 g/mol
LogP1.19
Rot. Bonds5

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

2-(2,6-dioxopiperidin-3-yl)-4-[[methyl-(1-piperidin-2-ylcyclopropyl)amino]methyl]isoindole-1,3-dione (PubChem CID 167719477) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-[[methyl-(1-piperidin-2-ylcyclopropyl)amino]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-4-[[methyl-(1-piperidin-2-ylcyclopropyl)amino]methyl]isoindole-1,3-dione
PubChem CID167719477
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-4-[[methyl-(1-piperidin-2-ylcyclopropyl)amino]methyl]isoindole-1,3-dione
SMILESCN(Cc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)C1(C2CCCCN2)CC1
InChIInChI=1S/C23H28N4O4/c1-26(23(10-11-23)17-7-2-3-12-24-17)13-14-5-4-6-15-19(14)22(31)27(21(15)30)16-8-9-18(28)25-20(16)29/h4-6,16-17,24H,2-3,7-13H2,1H3,(H,25,28,29)
InChIKeyMRMOCWMEXXTXKY-UHFFFAOYSA-N
XLogP1.19
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Related Compounds

3-[4-[[methyl-(1-piperidin-2-ylcyclopropyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167727127
4-[(1,2,3,4,5,6,7,7a-octahydrocyclopenta[b]pyridin-4a-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167719403
4-[[[4-(aminomethyl)oxan-4-yl]-methylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167727552
4-[[[(3aR,6aR)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-yl]methylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167729800
1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]-3-ethyl-1-methylurea
CID 24896343
4-(chloromethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 168870811
3-tert-butyl-1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]-1-methylurea
CID 24895898
2-(2,6-dioxopiperidin-3-yl)-4-[[[(2R)-pyrrolidin-2-yl]methylamino]methyl]isoindole-1,3-dione
CID 167725576
2-(2,6-dioxopiperidin-3-yl)-4-[(2-piperidin-2-ylethylamino)methyl]isoindole-1,3-dione
CID 167732427
4-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 154670467
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-methyliodanuidylisoindole-1,3-dione
CID 156883025

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[[methyl-(1-piperidin-2-ylcyclopropyl)amino]methyl]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[[methyl-(1-piperidin-2-ylcyclopropyl)amino]methyl]isoindole-1,3-dione (CID 167719477) is 2-(2,6-dioxopiperidin-3-yl)-4-[[methyl-(1-piperidin-2-ylcyclopropyl)amino]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-[[methyl-(1-piperidin-2-ylcyclopropyl)amino]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-[[methyl-(1-piperidin-2-ylcyclopropyl)amino]methyl]isoindole-1,3-dione is CN(Cc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)C1(C2CCCCN2)CC1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-[[methyl-(1-piperidin-2-ylcyclopropyl)amino]methyl]isoindole-1,3-dione?
The InChIKey is MRMOCWMEXXTXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-26(23(10-11-23)17-7-2-3-12-24-17)13-14-5-4-6-15-19(14)22(31)27(21(15)30)16-8-9-18(28)25-20(16)29/h4-6,16-17,24H,2-3,7-13H2,1H3,(H,25,28,29).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-[[methyl-(1-piperidin-2-ylcyclopropyl)amino]methyl]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-4-[[methyl-(1-piperidin-2-ylcyclopropyl)amino]methyl]isoindole-1,3-dione has a molecular weight of 424.50 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-4-[[methyl-(1-piperidin-2-ylcyclopropyl)amino]methyl]isoindole-1,3-dione is sourced from PubChem (CID 167719477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).