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

C19H22N4O4 — CID 171158422

IUPAC2-(2,6-dioxopiperidin-3-yl)-4-[methyl(pyrrolidin-3-ylmethyl)amino]isoindole-1,3-dione
SMILESCN(CC1CCNC1)c1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C19H22N4O4/c1-22(10-11-7-8-20-9-11)13-4-2-3-12-16(13)19(27)23(18(12)26)14-5-6-15(24)21-17(14)25/h2-4,11,14,20H,5-10H2,1H3,(H,21,24,25)
InChIKeyDZGQYODJJHRTAV-UHFFFAOYSA-N
MW370.41 g/mol
LogP0.13
Rot. Bonds4

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

2-(2,6-dioxopiperidin-3-yl)-4-[methyl(pyrrolidin-3-ylmethyl)amino]isoindole-1,3-dione (PubChem CID 171158422) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-[methyl(pyrrolidin-3-ylmethyl)amino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-4-[methyl(pyrrolidin-3-ylmethyl)amino]isoindole-1,3-dione
PubChem CID171158422
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-4-[methyl(pyrrolidin-3-ylmethyl)amino]isoindole-1,3-dione
SMILESCN(CC1CCNC1)c1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C19H22N4O4/c1-22(10-11-7-8-20-9-11)13-4-2-3-12-16(13)19(27)23(18(12)26)14-5-6-15(24)21-17(14)25/h2-4,11,14,20H,5-10H2,1H3,(H,21,24,25)
InChIKeyDZGQYODJJHRTAV-UHFFFAOYSA-N
XLogP0.13
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 50.13
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(pyrrolidin-3-ylmethyl)amino]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

3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]propanoic acid
CID 171158371
2-(2,6-dioxopiperidin-3-yl)-4-[methyl-[(3-methyloxetan-3-yl)methyl]amino]isoindole-1,3-dione
CID 175659786
2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]-N-methylacetamide
CID 71211499
2-(2,6-dioxopiperidin-3-yl)-4-[2-[(3R)-pyrrolidin-3-yl]ethylamino]isoindole-1,3-dione
CID 177003060
2-(2,6-dioxopiperidin-3-yl)-4-(4-pyrrolidin-3-ylbutyl)isoindole-1,3-dione
CID 134579763
2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[methyl(piperidin-4-ylmethyl)amino]isoindole-1,3-dione;hydrochloride
CID 171705568
4-[benzyl(cyclopropylmethyl)amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 175658656
1-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]ethyl]piperidine-4-carboxylic acid
CID 175660737
2-(2,6-dioxopiperidin-3-yl)-4-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]isoindole-1,3-dione
CID 175660820
2-(2,6-dioxopiperidin-3-yl)-5-[methyl(piperidin-4-ylmethyl)amino]isoindole-1,3-dione;hydrochloride
CID 171705598
2-(2,6-dioxopiperidin-3-yl)-4-(2-piperidin-4-ylethoxy)isoindole-1,3-dione;hydrochloride
CID 170701524
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 71499176

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[methyl(pyrrolidin-3-ylmethyl)amino]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[methyl(pyrrolidin-3-ylmethyl)amino]isoindole-1,3-dione (CID 171158422) is 2-(2,6-dioxopiperidin-3-yl)-4-[methyl(pyrrolidin-3-ylmethyl)amino]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-[methyl(pyrrolidin-3-ylmethyl)amino]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-[methyl(pyrrolidin-3-ylmethyl)amino]isoindole-1,3-dione is CN(CC1CCNC1)c1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-[methyl(pyrrolidin-3-ylmethyl)amino]isoindole-1,3-dione?
The InChIKey is DZGQYODJJHRTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-22(10-11-7-8-20-9-11)13-4-2-3-12-16(13)19(27)23(18(12)26)14-5-6-15(24)21-17(14)25/h2-4,11,14,20H,5-10H2,1H3,(H,21,24,25).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-[methyl(pyrrolidin-3-ylmethyl)amino]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-4-[methyl(pyrrolidin-3-ylmethyl)amino]isoindole-1,3-dione has a molecular weight of 370.41 g/mol, XLogP of 0.13, 4 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(pyrrolidin-3-ylmethyl)amino]isoindole-1,3-dione is sourced from PubChem (CID 171158422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).