3-(4-amino-3-oxo-7-propan-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione

C16H19N3O3 — CID 166490098

IUPAC3-(4-amino-3-oxo-7-propan-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESCC(C)c1ccc(N)c2c1CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C16H19N3O3/c1-8(2)9-3-4-11(17)14-10(9)7-19(16(14)22)12-5-6-13(20)18-15(12)21/h3-4,8,12H,5-7,17H2,1-2H3,(H,18,20,21)
InChIKeyZRHQCGFEYGTRMW-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.15
Rot. Bonds2

About 3-(4-amino-3-oxo-7-propan-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione

3-(4-amino-3-oxo-7-propan-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione (PubChem CID 166490098) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-(4-amino-3-oxo-7-propan-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(4-amino-3-oxo-7-propan-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione
PubChem CID166490098
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name3-(4-amino-3-oxo-7-propan-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESCC(C)c1ccc(N)c2c1CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C16H19N3O3/c1-8(2)9-3-4-11(17)14-10(9)7-19(16(14)22)12-5-6-13(20)18-15(12)21/h3-4,8,12H,5-7,17H2,1-2H3,(H,18,20,21)
InChIKeyZRHQCGFEYGTRMW-UHFFFAOYSA-N
XLogP1.15
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(4-amino-3-oxo-7-propan-2-yl-1H-isoindol-2-yl)piperidine-2,6-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

7-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-yl-3H-isoindol-1-one
CID 158779317
(3S)-3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 12044976
3-(7-cyclopropyl-4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167342547
3-(7-amino-5-deuterio-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 88575829
3-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
CID 130335320
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 25135307
3-(7-amino-4,5-dideuterio-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 46865765
3-(4-fluoro-7-iodo-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 134348219
3-(4-chloro-7-methoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167342046
3-(4-chloro-7-ethoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167342126
3-(3-methyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)piperidine-2,6-dione
CID 156817498
3-(4-chloro-7-cyclopropyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167342054

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3-oxo-7-propan-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(4-amino-3-oxo-7-propan-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione (CID 166490098) is 3-(4-amino-3-oxo-7-propan-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(4-amino-3-oxo-7-propan-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(4-amino-3-oxo-7-propan-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione is CC(C)c1ccc(N)c2c1CN(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 3-(4-amino-3-oxo-7-propan-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione?
The InChIKey is ZRHQCGFEYGTRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-8(2)9-3-4-11(17)14-10(9)7-19(16(14)22)12-5-6-13(20)18-15(12)21/h3-4,8,12H,5-7,17H2,1-2H3,(H,18,20,21).
What are the key properties of 3-(4-amino-3-oxo-7-propan-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione?
3-(4-amino-3-oxo-7-propan-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione has a molecular weight of 301.35 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3-oxo-7-propan-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 166490098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).