4-[(2,3-dihydro-1H-indol-4-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C22H20N4O4 — CID 167725202

IUPAC4-[(2,3-dihydro-1H-indol-4-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cccc(CNc4cccc5c4CCN5)c3C2=O)C(=O)N1
InChIInChI=1S/C22H20N4O4/c27-18-8-7-17(20(28)25-18)26-21(29)14-4-1-3-12(19(14)22(26)30)11-24-16-6-2-5-15-13(16)9-10-23-15/h1-6,17,23-24H,7-11H2,(H,25,27,28)
InChIKeyONBGXRWBELEWNL-UHFFFAOYSA-N
MW404.43 g/mol
LogP1.67
Rot. Bonds4

About 4-[(2,3-dihydro-1H-indol-4-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

4-[(2,3-dihydro-1H-indol-4-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 167725202) has the molecular formula C22H20N4O4 and a molecular weight of 404.43 g/mol. Its IUPAC name is 4-[(2,3-dihydro-1H-indol-4-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[(2,3-dihydro-1H-indol-4-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID167725202
Molecular FormulaC22H20N4O4
Molecular Weight404.43 g/mol
Exact Mass404.15
IUPAC Name4-[(2,3-dihydro-1H-indol-4-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cccc(CNc4cccc5c4CCN5)c3C2=O)C(=O)N1
InChIInChI=1S/C22H20N4O4/c27-18-8-7-17(20(28)25-18)26-21(29)14-4-1-3-12(19(14)22(26)30)11-24-16-6-2-5-15-13(16)9-10-23-15/h1-6,17,23-24H,7-11H2,(H,25,27,28)
InChIKeyONBGXRWBELEWNL-UHFFFAOYSA-N
XLogP1.67
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(2,3-dihydro-1H-isoindol-4-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167736448
2-(2,6-dioxopiperidin-3-yl)-4-[[[8-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-5-yl]amino]methyl]isoindole-1,3-dione
CID 167728553
4-(chloromethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 168870811
N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]cyclopropanecarboxamide
CID 10155135
2-(2,6-dioxopiperidin-3-yl)-4-[[[4-(hydroxymethyl)piperidin-4-yl]amino]methyl]isoindole-1,3-dione
CID 167738667
4-[[4-(2-aminoethyl)anilino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167737085
2-(2,6-dioxopiperidin-3-yl)-4-[(1,2,3,4-tetrahydroisoquinolin-7-ylamino)methyl]isoindole-1,3-dione
CID 167727601
2-(2,6-dioxopiperidin-3-yl)-4-[[[(2R)-pyrrolidin-2-yl]methylamino]methyl]isoindole-1,3-dione
CID 167725576
4-[[4-[(1S)-1-aminoethyl]anilino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167742268
2-(2,6-dioxopiperidin-3-yl)-4-[[[1-(4-hydroxypiperidin-4-yl)cyclopropyl]amino]methyl]isoindole-1,3-dione
CID 167741601
4-[(3,4-dihydro-2H-1,4-benzoxazin-7-ylmethylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167738529
4-[(azocan-4-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167735849

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dihydro-1H-indol-4-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 4-[(2,3-dihydro-1H-indol-4-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 167725202) is 4-[(2,3-dihydro-1H-indol-4-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 4-[(2,3-dihydro-1H-indol-4-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 4-[(2,3-dihydro-1H-indol-4-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is O=C1CCC(N2C(=O)c3cccc(CNc4cccc5c4CCN5)c3C2=O)C(=O)N1.
What is the InChIKey of 4-[(2,3-dihydro-1H-indol-4-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is ONBGXRWBELEWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4/c27-18-8-7-17(20(28)25-18)26-21(29)14-4-1-3-12(19(14)22(26)30)11-24-16-6-2-5-15-13(16)9-10-23-15/h1-6,17,23-24H,7-11H2,(H,25,27,28).
What are the key properties of 4-[(2,3-dihydro-1H-indol-4-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
4-[(2,3-dihydro-1H-indol-4-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 404.43 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dihydro-1H-indol-4-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 167725202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).