2-(2,6-dioxopiperidin-3-yl)-5-[(1S,3R)-3-(4-methoxypiperazin-1-yl)cyclopentyl]oxyisoindole-1,3-dione

C23H28N4O6 — CID 134441108

IUPAC2-(2,6-dioxopiperidin-3-yl)-5-[(1S,3R)-3-(4-methoxypiperazin-1-yl)cyclopentyl]oxyisoindole-1,3-dione
SMILESCON1CCN([C@@H]2CC[C@H](Oc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)CC1
InChIInChI=1S/C23H28N4O6/c1-32-26-10-8-25(9-11-26)14-2-3-15(12-14)33-16-4-5-17-18(13-16)23(31)27(22(17)30)19-6-7-20(28)24-21(19)29/h4-5,13-15,19H,2-3,6-12H2,1H3,(H,24,28,29)/t14-,15+,19?/m1/s1
InChIKeyWACSAMZURQKZGX-DALSXFDMSA-N
MW456.50 g/mol
LogP0.57
Rot. Bonds5

About 2-(2,6-dioxopiperidin-3-yl)-5-[(1S,3R)-3-(4-methoxypiperazin-1-yl)cyclopentyl]oxyisoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[(1S,3R)-3-(4-methoxypiperazin-1-yl)cyclopentyl]oxyisoindole-1,3-dione (PubChem CID 134441108) has the molecular formula C23H28N4O6 and a molecular weight of 456.50 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[(1S,3R)-3-(4-methoxypiperazin-1-yl)cyclopentyl]oxyisoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-5-[(1S,3R)-3-(4-methoxypiperazin-1-yl)cyclopentyl]oxyisoindole-1,3-dione
PubChem CID134441108
Molecular FormulaC23H28N4O6
Molecular Weight456.50 g/mol
Exact Mass456.20
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-[(1S,3R)-3-(4-methoxypiperazin-1-yl)cyclopentyl]oxyisoindole-1,3-dione
SMILESCON1CCN([C@@H]2CC[C@H](Oc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)CC1
InChIInChI=1S/C23H28N4O6/c1-32-26-10-8-25(9-11-26)14-2-3-15(12-14)33-16-4-5-17-18(13-16)23(31)27(22(17)30)19-6-7-20(28)24-21(19)29/h4-5,13-15,19H,2-3,6-12H2,1H3,(H,24,28,29)/t14-,15+,19?/m1/s1
InChIKeyWACSAMZURQKZGX-DALSXFDMSA-N
XLogP0.57
TPSA108.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[(1S,3R)-3-(4-methoxypiperazin-1-yl)cyclopentyl]oxyisoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[(1S,3R)-3-(4-methoxypiperazin-1-yl)cyclopentyl]oxyisoindole-1,3-dione (CID 134441108) is 2-(2,6-dioxopiperidin-3-yl)-5-[(1S,3R)-3-(4-methoxypiperazin-1-yl)cyclopentyl]oxyisoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[(1S,3R)-3-(4-methoxypiperazin-1-yl)cyclopentyl]oxyisoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[(1S,3R)-3-(4-methoxypiperazin-1-yl)cyclopentyl]oxyisoindole-1,3-dione is CON1CCN([C@@H]2CC[C@H](Oc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)CC1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[(1S,3R)-3-(4-methoxypiperazin-1-yl)cyclopentyl]oxyisoindole-1,3-dione?
The InChIKey is WACSAMZURQKZGX-DALSXFDMSA-N. The full InChI is InChI=1S/C23H28N4O6/c1-32-26-10-8-25(9-11-26)14-2-3-15(12-14)33-16-4-5-17-18(13-16)23(31)27(22(17)30)19-6-7-20(28)24-21(19)29/h4-5,13-15,19H,2-3,6-12H2,1H3,(H,24,28,29)/t14-,15+,19?/m1/s1.
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[(1S,3R)-3-(4-methoxypiperazin-1-yl)cyclopentyl]oxyisoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-5-[(1S,3R)-3-(4-methoxypiperazin-1-yl)cyclopentyl]oxyisoindole-1,3-dione has a molecular weight of 456.50 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-5-[(1S,3R)-3-(4-methoxypiperazin-1-yl)cyclopentyl]oxyisoindole-1,3-dione is sourced from PubChem (CID 134441108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).