2-(2,6-dioxopiperidin-3-yl)-4-[2-[(3R)-pyrrolidin-3-yl]ethylamino]isoindole-1,3-dione

C19H22N4O4 — CID 177003060

IUPAC2-(2,6-dioxopiperidin-3-yl)-4-[2-[(3R)-pyrrolidin-3-yl]ethylamino]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cccc(NCC[C@H]4CCNC4)c3C2=O)C(=O)N1
InChIInChI=1S/C19H22N4O4/c24-15-5-4-14(17(25)22-15)23-18(26)12-2-1-3-13(16(12)19(23)27)21-9-7-11-6-8-20-10-11/h1-3,11,14,20-21H,4-10H2,(H,22,24,25)/t11-,14?/m1/s1
InChIKeyCVIVVACQYUWOFH-YNODCEANSA-N
MW370.41 g/mol
LogP0.50
Rot. Bonds5

About 2-(2,6-dioxopiperidin-3-yl)-4-[2-[(3R)-pyrrolidin-3-yl]ethylamino]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-4-[2-[(3R)-pyrrolidin-3-yl]ethylamino]isoindole-1,3-dione (PubChem CID 177003060) 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-[2-[(3R)-pyrrolidin-3-yl]ethylamino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-4-[2-[(3R)-pyrrolidin-3-yl]ethylamino]isoindole-1,3-dione
PubChem CID177003060
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-4-[2-[(3R)-pyrrolidin-3-yl]ethylamino]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cccc(NCC[C@H]4CCNC4)c3C2=O)C(=O)N1
InChIInChI=1S/C19H22N4O4/c24-15-5-4-14(17(25)22-15)23-18(26)12-2-1-3-13(16(12)19(23)27)21-9-7-11-6-8-20-10-11/h1-3,11,14,20-21H,4-10H2,(H,22,24,25)/t11-,14?/m1/s1
InChIKeyCVIVVACQYUWOFH-YNODCEANSA-N
XLogP0.50
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 50.50
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

2-(2,6-dioxopiperidin-3-yl)-4-(2-piperazin-1-ylethylamino)isoindole-1,3-dione
CID 150346621
2-(2,6-dioxopiperidin-3-yl)-4-(4-pyrrolidin-3-ylbutyl)isoindole-1,3-dione
CID 134579763
2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-(2-piperidin-4-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione
CID 155292598
2-(2,6-dioxopiperidin-3-yl)-4-(6-hydroxyhexylamino)isoindole-1,3-dione
CID 138534322
2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-(2-piperidin-4-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;hydrochloride
CID 155292597
4-(cyclooctylmethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 170242906
4-(7-aminoheptylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
CID 139211247
2-(2,6-dioxopiperidin-3-yl)-4-[2-[(2-methylpropan-2-yl)oxy]ethylamino]isoindole-1,3-dione
CID 171726342
2-(2,6-dioxopiperidin-3-yl)-4-(4-tritiobutylamino)isoindole-1,3-dione
CID 156686292
10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]decylcarbamic acid
CID 155011882
4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butanal;methanol
CID 168902985
16-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexadecanamide
CID 171853695

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[2-[(3R)-pyrrolidin-3-yl]ethylamino]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[2-[(3R)-pyrrolidin-3-yl]ethylamino]isoindole-1,3-dione (CID 177003060) is 2-(2,6-dioxopiperidin-3-yl)-4-[2-[(3R)-pyrrolidin-3-yl]ethylamino]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-[2-[(3R)-pyrrolidin-3-yl]ethylamino]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-[2-[(3R)-pyrrolidin-3-yl]ethylamino]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3cccc(NCC[C@H]4CCNC4)c3C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-[2-[(3R)-pyrrolidin-3-yl]ethylamino]isoindole-1,3-dione?
The InChIKey is CVIVVACQYUWOFH-YNODCEANSA-N. The full InChI is InChI=1S/C19H22N4O4/c24-15-5-4-14(17(25)22-15)23-18(26)12-2-1-3-13(16(12)19(23)27)21-9-7-11-6-8-20-10-11/h1-3,11,14,20-21H,4-10H2,(H,22,24,25)/t11-,14?/m1/s1.
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-[2-[(3R)-pyrrolidin-3-yl]ethylamino]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-4-[2-[(3R)-pyrrolidin-3-yl]ethylamino]isoindole-1,3-dione has a molecular weight of 370.41 g/mol, XLogP of 0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-4-[2-[(3R)-pyrrolidin-3-yl]ethylamino]isoindole-1,3-dione is sourced from PubChem (CID 177003060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).