2-(2,6-dioxopiperidin-3-yl)-5-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]isoindole-1,3-dione

C26H34N4O4 — CID 175951779

IUPAC2-(2,6-dioxopiperidin-3-yl)-5-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(C4CCN(CCCN5CCCCC5)CC4)cc3C2=O)C(=O)N1
InChIInChI=1S/C26H34N4O4/c31-23-8-7-22(24(32)27-23)30-25(33)20-6-5-19(17-21(20)26(30)34)18-9-15-29(16-10-18)14-4-13-28-11-2-1-3-12-28/h5-6,17-18,22H,1-4,7-16H2,(H,27,31,32)
InChIKeyBJVBSOZFOUTKSI-UHFFFAOYSA-N
MW466.58 g/mol
LogP2.14
Rot. Bonds6

About 2-(2,6-dioxopiperidin-3-yl)-5-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]isoindole-1,3-dione (PubChem CID 175951779) has the molecular formula C26H34N4O4 and a molecular weight of 466.58 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-5-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]isoindole-1,3-dione
PubChem CID175951779
Molecular FormulaC26H34N4O4
Molecular Weight466.58 g/mol
Exact Mass466.26
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(C4CCN(CCCN5CCCCC5)CC4)cc3C2=O)C(=O)N1
InChIInChI=1S/C26H34N4O4/c31-23-8-7-22(24(32)27-23)30-25(33)20-6-5-19(17-21(20)26(30)34)18-9-15-29(16-10-18)14-4-13-28-11-2-1-3-12-28/h5-6,17-18,22H,1-4,7-16H2,(H,27,31,32)
InChIKeyBJVBSOZFOUTKSI-UHFFFAOYSA-N
XLogP2.14
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 52.14
H-Bond Donors ≤ 51
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)-5-[1-(2-piperazin-1-ylethyl)piperidin-4-yl]isoindole-1,3-dione
CID 175835892
2-(2,6-dioxopiperidin-3-yl)-5-(1-methylpiperidin-4-yl)isoindole-1,3-dione
CID 165380103
2-(2,6-dioxopiperidin-3-yl)-5-[1-[(4-ethylcyclohexyl)methyl]piperidin-4-yl]isoindole-1,3-dione
CID 175628232
2-(2,6-dioxopiperidin-3-yl)-5-piperidin-4-ylisoindole-1,3-dione;ethane
CID 142367515
tert-butyl 4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-1-carboxylate
CID 134413948
2-(2,6-dioxopiperidin-3-yl)-5-[1-[3-[4-[4-[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophene-3-carbonyl]phenyl]piperazin-1-yl]propyl]piperidin-4-yl]isoindole-1,3-dione
CID 169268271
2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[4-[1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]piperidin-1-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione
CID 146566658
5-[4-(4-aminobutyl)piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;dihydrochloride
CID 166428469
5-(azetidin-1-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 164846090
2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-hydroxyethyl)piperazin-1-yl]isoindole-1,3-dione
CID 134414030
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]isoindole-1,3-dione (CID 175951779) is 2-(2,6-dioxopiperidin-3-yl)-5-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(C4CCN(CCCN5CCCCC5)CC4)cc3C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]isoindole-1,3-dione?
The InChIKey is BJVBSOZFOUTKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O4/c31-23-8-7-22(24(32)27-23)30-25(33)20-6-5-19(17-21(20)26(30)34)18-9-15-29(16-10-18)14-4-13-28-11-2-1-3-12-28/h5-6,17-18,22H,1-4,7-16H2,(H,27,31,32).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-5-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]isoindole-1,3-dione has a molecular weight of 466.58 g/mol, XLogP of 2.14, 6 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-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]isoindole-1,3-dione is sourced from PubChem (CID 175951779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).