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

C17H19N3O4 — CID 162432126

IUPAC2-(1-methyl-2,6-dioxopiperidin-3-yl)-4-(propan-2-ylamino)isoindole-1,3-dione
SMILESCC(C)Nc1cccc2c1C(=O)N(C1CCC(=O)N(C)C1=O)C2=O
InChIInChI=1S/C17H19N3O4/c1-9(2)18-11-6-4-5-10-14(11)17(24)20(15(10)22)12-7-8-13(21)19(3)16(12)23/h4-6,9,12,18H,7-8H2,1-3H3
InChIKeyHXSBLJXKCHWBFP-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.25
Rot. Bonds3

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

2-(1-methyl-2,6-dioxopiperidin-3-yl)-4-(propan-2-ylamino)isoindole-1,3-dione (PubChem CID 162432126) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-(1-methyl-2,6-dioxopiperidin-3-yl)-4-(propan-2-ylamino)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(1-methyl-2,6-dioxopiperidin-3-yl)-4-(propan-2-ylamino)isoindole-1,3-dione
PubChem CID162432126
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name2-(1-methyl-2,6-dioxopiperidin-3-yl)-4-(propan-2-ylamino)isoindole-1,3-dione
SMILESCC(C)Nc1cccc2c1C(=O)N(C1CCC(=O)N(C)C1=O)C2=O
InChIInChI=1S/C17H19N3O4/c1-9(2)18-11-6-4-5-10-14(11)17(24)20(15(10)22)12-7-8-13(21)19(3)16(12)23/h4-6,9,12,18H,7-8H2,1-3H3
InChIKeyHXSBLJXKCHWBFP-UHFFFAOYSA-N
XLogP1.25
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(1-methyl-2,6-dioxopiperidin-3-yl)-4-(propan-2-ylamino)isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-methyl-2,6-dioxopiperidin-3-yl)-4-propan-2-ylisoindole-1,3-dione
CID 170640142
4-methyl-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 142650795
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-[2-[2-[2-(4-aminopiperidin-1-yl)ethoxy]ethoxy]ethylamino]-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 156865742
2-(2-hydroxy-2-methyl-6-oxopiperidin-3-yl)-4-(propan-2-ylamino)isoindole-1,3-dione
CID 169213660
2-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]-4-(methylamino)isoindole-1,3-dione;2-(methylamino)acetic acid
CID 69248780
2-(1-methyl-2,6-dioxopiperidin-3-yl)-5-sulfanylisoindole-1,3-dione
CID 174332878
2-[(3R)-2,6-dioxopiperidin-3-yl]-4-(methylamino)isoindole-1,3-dione
CID 139441450
4-amino-2-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione;(2S)-2-aminopropanoic acid
CID 160907229
4-O-[3-(4-amino-1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl] 1-O-methyl (Z)-but-2-enedioate
CID 175046688
2-(1-methyl-2,6-dioxopiperidin-3-yl)-5-(methylideneamino)isoindole-1,3-dione
CID 139469799
3-[7-(but-1-en-2-ylamino)-3-oxo-1H-isoindol-2-yl]-1-methylpiperidine-2,6-dione
CID 130441968

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2,6-dioxopiperidin-3-yl)-4-(propan-2-ylamino)isoindole-1,3-dione?
The IUPAC name of 2-(1-methyl-2,6-dioxopiperidin-3-yl)-4-(propan-2-ylamino)isoindole-1,3-dione (CID 162432126) is 2-(1-methyl-2,6-dioxopiperidin-3-yl)-4-(propan-2-ylamino)isoindole-1,3-dione.
What is the SMILES notation for 2-(1-methyl-2,6-dioxopiperidin-3-yl)-4-(propan-2-ylamino)isoindole-1,3-dione?
The canonical SMILES for 2-(1-methyl-2,6-dioxopiperidin-3-yl)-4-(propan-2-ylamino)isoindole-1,3-dione is CC(C)Nc1cccc2c1C(=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-ylamino)isoindole-1,3-dione?
The InChIKey is HXSBLJXKCHWBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-9(2)18-11-6-4-5-10-14(11)17(24)20(15(10)22)12-7-8-13(21)19(3)16(12)23/h4-6,9,12,18H,7-8H2,1-3H3.
What are the key properties of 2-(1-methyl-2,6-dioxopiperidin-3-yl)-4-(propan-2-ylamino)isoindole-1,3-dione?
2-(1-methyl-2,6-dioxopiperidin-3-yl)-4-(propan-2-ylamino)isoindole-1,3-dione has a molecular weight of 329.36 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2,6-dioxopiperidin-3-yl)-4-(propan-2-ylamino)isoindole-1,3-dione is sourced from PubChem (CID 162432126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).