3-[1-(2-aminoethylamino)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione

C15H20N4O2 — CID 175819789

IUPAC3-[1-(2-aminoethylamino)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
SMILESNCCNC1c2ccccc2CN1C1CCC(=O)NC1=O
InChIInChI=1S/C15H20N4O2/c16-7-8-17-14-11-4-2-1-3-10(11)9-19(14)12-5-6-13(20)18-15(12)21/h1-4,12,14,17H,5-9,16H2,(H,18,20,21)
InChIKeyOZSSANGGRXKNIA-UHFFFAOYSA-N
MW288.35 g/mol
LogP-0.15
Rot. Bonds4

About 3-[1-(2-aminoethylamino)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione

3-[1-(2-aminoethylamino)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione (PubChem CID 175819789) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-[1-(2-aminoethylamino)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[1-(2-aminoethylamino)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
PubChem CID175819789
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name3-[1-(2-aminoethylamino)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
SMILESNCCNC1c2ccccc2CN1C1CCC(=O)NC1=O
InChIInChI=1S/C15H20N4O2/c16-7-8-17-14-11-4-2-1-3-10(11)9-19(14)12-5-6-13(20)18-15(12)21/h1-4,12,14,17H,5-9,16H2,(H,18,20,21)
InChIKeyOZSSANGGRXKNIA-UHFFFAOYSA-N
XLogP-0.15
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(3-aminopropyl)-1-sulfanyl-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 176674024
3-(1-hydroxy-1,3-dihydroisoindol-2-yl)-6-sulfanylidenepiperidin-2-one
CID 166813632
3-[4-(3-aminopropoxy)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 175855337
3-(3-methylidene-1H-isoindol-2-yl)piperidine-2,6-dione
CID 165027847
3-(5-bromo-1-hydroxy-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
CID 152965133
3-[1-hydroxy-4-(2-hydroxyethylamino)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 170143097
3-[4-[(4-chlorophenyl)methoxy]-1-hydroxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 163697364
3-(3-oxo-4-phenyl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 156502012
3-(4-hydroxy-1-sulfanyl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
CID 176674099
2-[2-(2-aminoethoxy)ethoxy]ethanamine;2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 145382151
methylazanium;3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155746155
3-[6-[[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167718599

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-aminoethylamino)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[1-(2-aminoethylamino)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione (CID 175819789) is 3-[1-(2-aminoethylamino)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[1-(2-aminoethylamino)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[1-(2-aminoethylamino)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione is NCCNC1c2ccccc2CN1C1CCC(=O)NC1=O.
What is the InChIKey of 3-[1-(2-aminoethylamino)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?
The InChIKey is OZSSANGGRXKNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c16-7-8-17-14-11-4-2-1-3-10(11)9-19(14)12-5-6-13(20)18-15(12)21/h1-4,12,14,17H,5-9,16H2,(H,18,20,21).
What are the key properties of 3-[1-(2-aminoethylamino)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?
3-[1-(2-aminoethylamino)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione has a molecular weight of 288.35 g/mol, XLogP of -0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-aminoethylamino)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 175819789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).