2-(2,6-dioxopiperidin-3-yl)-5-(4-hept-6-enylpiperazin-1-yl)isoindole-1,3-dione

C24H30N4O4 — CID 176967673

IUPAC2-(2,6-dioxopiperidin-3-yl)-5-(4-hept-6-enylpiperazin-1-yl)isoindole-1,3-dione
SMILESC=CCCCCCN1CCN(c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1
InChIInChI=1S/C24H30N4O4/c1-2-3-4-5-6-11-26-12-14-27(15-13-26)17-7-8-18-19(16-17)24(32)28(23(18)31)20-9-10-21(29)25-22(20)30/h2,7-8,16,20H,1,3-6,9-15H2,(H,25,29,30)
InChIKeyLXHCKAFWFNDJIQ-UHFFFAOYSA-N
MW438.53 g/mol
LogP1.96
Rot. Bonds8

About 2-(2,6-dioxopiperidin-3-yl)-5-(4-hept-6-enylpiperazin-1-yl)isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-(4-hept-6-enylpiperazin-1-yl)isoindole-1,3-dione (PubChem CID 176967673) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-(4-hept-6-enylpiperazin-1-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-5-(4-hept-6-enylpiperazin-1-yl)isoindole-1,3-dione
PubChem CID176967673
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-(4-hept-6-enylpiperazin-1-yl)isoindole-1,3-dione
SMILESC=CCCCCCN1CCN(c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1
InChIInChI=1S/C24H30N4O4/c1-2-3-4-5-6-11-26-12-14-27(15-13-26)17-7-8-18-19(16-17)24(32)28(23(18)31)20-9-10-21(29)25-22(20)30/h2,7-8,16,20H,1,3-6,9-15H2,(H,25,29,30)
InChIKeyLXHCKAFWFNDJIQ-UHFFFAOYSA-N
XLogP1.96
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(4-aminobutyl)piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;dihydrochloride
CID 166428469
2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-hydroxyethyl)piperazin-1-yl]isoindole-1,3-dione
CID 134414030
5-(azetidin-1-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 164846090
5-[4-(2-aminoethyl)piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2,2,2-trifluoroacetaldehyde
CID 175987001
2-(2,6-dioxopiperidin-3-yl)-5-(4-methylpiperazin-1-yl)isoindole-1,3-dione;ethane
CID 171786631
5-[4-[2-[2-[2-[2-(4-bromophenoxy)ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 135147055
3-[1-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-4-yl]oxyazetidine-1-carboxylic acid
CID 146404495
2-[(3S)-2,6-dioxopiperidin-3-yl]-5-[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]piperazin-1-yl]isoindole-1,3-dione
CID 170836142
2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;ethane;prop-1-ene
CID 142368742
2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione
CID 134413720
2-(2,6-dioxopiperidin-3-yl)-5-(8-pentyl-2,8-diazaspiro[4.5]decan-2-yl)isoindole-1,3-dione
CID 156729472
2-(2,6-dioxopiperidin-3-yl)-5-[4-[[4-(piperazin-1-ylmethyl)phenyl]methyl]piperazin-1-yl]isoindole-1,3-dione
CID 165136867

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-(4-hept-6-enylpiperazin-1-yl)isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-(4-hept-6-enylpiperazin-1-yl)isoindole-1,3-dione (CID 176967673) is 2-(2,6-dioxopiperidin-3-yl)-5-(4-hept-6-enylpiperazin-1-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-(4-hept-6-enylpiperazin-1-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-(4-hept-6-enylpiperazin-1-yl)isoindole-1,3-dione is C=CCCCCCN1CCN(c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-(4-hept-6-enylpiperazin-1-yl)isoindole-1,3-dione?
The InChIKey is LXHCKAFWFNDJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-2-3-4-5-6-11-26-12-14-27(15-13-26)17-7-8-18-19(16-17)24(32)28(23(18)31)20-9-10-21(29)25-22(20)30/h2,7-8,16,20H,1,3-6,9-15H2,(H,25,29,30).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-(4-hept-6-enylpiperazin-1-yl)isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-5-(4-hept-6-enylpiperazin-1-yl)isoindole-1,3-dione has a molecular weight of 438.53 g/mol, XLogP of 1.96, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-5-(4-hept-6-enylpiperazin-1-yl)isoindole-1,3-dione is sourced from PubChem (CID 176967673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).