2-(1-methyl-2,6-dioxopiperidin-3-yl)-4-propan-2-ylisoindole-1,3-dione

C17H18N2O4 — CID 170640142

IUPAC2-(1-methyl-2,6-dioxopiperidin-3-yl)-4-propan-2-ylisoindole-1,3-dione
SMILESCC(C)c1cccc2c1C(=O)N(C1CCC(=O)N(C)C1=O)C2=O
InChIInChI=1S/C17H18N2O4/c1-9(2)10-5-4-6-11-14(10)17(23)19(15(11)21)12-7-8-13(20)18(3)16(12)22/h4-6,9,12H,7-8H2,1-3H3
InChIKeyGQYLOHGTHXWFJP-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.55
Rot. Bonds2

About 2-(1-methyl-2,6-dioxopiperidin-3-yl)-4-propan-2-ylisoindole-1,3-dione

2-(1-methyl-2,6-dioxopiperidin-3-yl)-4-propan-2-ylisoindole-1,3-dione (PubChem CID 170640142) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-(1-methyl-2,6-dioxopiperidin-3-yl)-4-propan-2-ylisoindole-1,3-dione.

Molecular Properties

Compound Name2-(1-methyl-2,6-dioxopiperidin-3-yl)-4-propan-2-ylisoindole-1,3-dione
PubChem CID170640142
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name2-(1-methyl-2,6-dioxopiperidin-3-yl)-4-propan-2-ylisoindole-1,3-dione
SMILESCC(C)c1cccc2c1C(=O)N(C1CCC(=O)N(C)C1=O)C2=O
InChIInChI=1S/C17H18N2O4/c1-9(2)10-5-4-6-11-14(10)17(23)19(15(11)21)12-7-8-13(20)18(3)16(12)22/h4-6,9,12H,7-8H2,1-3H3
InChIKeyGQYLOHGTHXWFJP-UHFFFAOYSA-N
XLogP1.55
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 142650795
2-(1-methyl-2,6-dioxopiperidin-3-yl)-4-(propan-2-ylamino)isoindole-1,3-dione
CID 162432126
2-(2,7-dioxoazepan-3-yl)-4-propan-2-ylisoindole-1,3-dione;molecular hydrogen
CID 142590623
2-(1-methyl-2,6-dioxopiperidin-3-yl)-5-sulfanylisoindole-1,3-dione
CID 174332878
1-methyl-3-(3-methyl-2-oxo-4-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione
CID 171554814
4-[2-[2-[2-(4-aminopiperidin-1-yl)ethoxy]ethoxy]ethylamino]-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 156865742
3-[2-[2-[2-[2-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 146161296
4-amino-2-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione;(2S)-2-aminopropanoic acid
CID 160907229
2-(1-methyl-2,6-dioxopiperidin-3-yl)-5-(methylideneamino)isoindole-1,3-dione
CID 139469799
2-[3-(4-amino-1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]ethyl (2S)-2-amino-3-methylbutanoate
CID 89295602
2-[4-amino-3-[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-4-oxobutoxy]ethyl methanesulfonate
CID 175467968
2-[1-(2-ethoxyethyl)-2,6-dioxopiperidin-3-yl]-4-fluoroisoindole-1,3-dione
CID 139529054

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2,6-dioxopiperidin-3-yl)-4-propan-2-ylisoindole-1,3-dione?
The IUPAC name of 2-(1-methyl-2,6-dioxopiperidin-3-yl)-4-propan-2-ylisoindole-1,3-dione (CID 170640142) is 2-(1-methyl-2,6-dioxopiperidin-3-yl)-4-propan-2-ylisoindole-1,3-dione.
What is the SMILES notation for 2-(1-methyl-2,6-dioxopiperidin-3-yl)-4-propan-2-ylisoindole-1,3-dione?
The canonical SMILES for 2-(1-methyl-2,6-dioxopiperidin-3-yl)-4-propan-2-ylisoindole-1,3-dione is CC(C)c1cccc2c1C(=O)N(C1CCC(=O)N(C)C1=O)C2=O.
What is the InChIKey of 2-(1-methyl-2,6-dioxopiperidin-3-yl)-4-propan-2-ylisoindole-1,3-dione?
The InChIKey is GQYLOHGTHXWFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-9(2)10-5-4-6-11-14(10)17(23)19(15(11)21)12-7-8-13(20)18(3)16(12)22/h4-6,9,12H,7-8H2,1-3H3.
What are the key properties of 2-(1-methyl-2,6-dioxopiperidin-3-yl)-4-propan-2-ylisoindole-1,3-dione?
2-(1-methyl-2,6-dioxopiperidin-3-yl)-4-propan-2-ylisoindole-1,3-dione has a molecular weight of 314.34 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2,6-dioxopiperidin-3-yl)-4-propan-2-ylisoindole-1,3-dione is sourced from PubChem (CID 170640142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).