7-(5-aminopentyl)-2-(2,6-dioxopiperidin-3-yl)-4,5-dihydroisoindole-1,3-dione

C18H23N3O4 — CID 165055893

IUPAC7-(5-aminopentyl)-2-(2,6-dioxopiperidin-3-yl)-4,5-dihydroisoindole-1,3-dione
SMILESNCCCCCC1=CCCC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C18H23N3O4/c19-10-3-1-2-5-11-6-4-7-12-15(11)18(25)21(17(12)24)13-8-9-14(22)20-16(13)23/h6,13H,1-5,7-10,19H2,(H,20,22,23)
InChIKeyQKHUKWFIVVLXPR-UHFFFAOYSA-N
MW345.40 g/mol
LogP0.70
Rot. Bonds6

About 7-(5-aminopentyl)-2-(2,6-dioxopiperidin-3-yl)-4,5-dihydroisoindole-1,3-dione

7-(5-aminopentyl)-2-(2,6-dioxopiperidin-3-yl)-4,5-dihydroisoindole-1,3-dione (PubChem CID 165055893) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 7-(5-aminopentyl)-2-(2,6-dioxopiperidin-3-yl)-4,5-dihydroisoindole-1,3-dione.

Molecular Properties

Compound Name7-(5-aminopentyl)-2-(2,6-dioxopiperidin-3-yl)-4,5-dihydroisoindole-1,3-dione
PubChem CID165055893
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name7-(5-aminopentyl)-2-(2,6-dioxopiperidin-3-yl)-4,5-dihydroisoindole-1,3-dione
SMILESNCCCCCC1=CCCC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C18H23N3O4/c19-10-3-1-2-5-11-6-4-7-12-15(11)18(25)21(17(12)24)13-8-9-14(22)20-16(13)23/h6,13H,1-5,7-10,19H2,(H,20,22,23)
InChIKeyQKHUKWFIVVLXPR-UHFFFAOYSA-N
XLogP0.70
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-(5-aminopentyl)-2-(2,6-dioxopiperidin-3-yl)-4,5-dihydroisoindole-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

2-(2,6-dioxopiperidin-3-yl)-7-hydroxy-4,5-dihydroisoindole-1,3-dione
CID 163373811
5-(4-aminobutyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 163540718
4-(11-aminoundecyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 160780057
5-(5-aminopentylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 138562610
5-(14-aminotetradecylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 169450048
5-(9-aminononylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 162482502
5-(3-aminopropylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 150134441
5-[5-aminopentyl(methyl)amino]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione
CID 171158312
5-[[6-aminohexyl(methyl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167717770
4-(8-aminooctoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 121448705
4-(5-aminopentoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
CID 146150393
N-(10-aminodecyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetamide
CID 171554713

Frequently Asked Questions

What is the IUPAC name of 7-(5-aminopentyl)-2-(2,6-dioxopiperidin-3-yl)-4,5-dihydroisoindole-1,3-dione?
The IUPAC name of 7-(5-aminopentyl)-2-(2,6-dioxopiperidin-3-yl)-4,5-dihydroisoindole-1,3-dione (CID 165055893) is 7-(5-aminopentyl)-2-(2,6-dioxopiperidin-3-yl)-4,5-dihydroisoindole-1,3-dione.
What is the SMILES notation for 7-(5-aminopentyl)-2-(2,6-dioxopiperidin-3-yl)-4,5-dihydroisoindole-1,3-dione?
The canonical SMILES for 7-(5-aminopentyl)-2-(2,6-dioxopiperidin-3-yl)-4,5-dihydroisoindole-1,3-dione is NCCCCCC1=CCCC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 7-(5-aminopentyl)-2-(2,6-dioxopiperidin-3-yl)-4,5-dihydroisoindole-1,3-dione?
The InChIKey is QKHUKWFIVVLXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c19-10-3-1-2-5-11-6-4-7-12-15(11)18(25)21(17(12)24)13-8-9-14(22)20-16(13)23/h6,13H,1-5,7-10,19H2,(H,20,22,23).
What are the key properties of 7-(5-aminopentyl)-2-(2,6-dioxopiperidin-3-yl)-4,5-dihydroisoindole-1,3-dione?
7-(5-aminopentyl)-2-(2,6-dioxopiperidin-3-yl)-4,5-dihydroisoindole-1,3-dione has a molecular weight of 345.40 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-aminopentyl)-2-(2,6-dioxopiperidin-3-yl)-4,5-dihydroisoindole-1,3-dione is sourced from PubChem (CID 165055893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).