2-(2,6-dioxopiperidin-3-yl)-4-undecylisoindole-1,3-dione

C24H32N2O4 — CID 158773174

IUPAC2-(2,6-dioxopiperidin-3-yl)-4-undecylisoindole-1,3-dione
SMILESCCCCCCCCCCCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C24H32N2O4/c1-2-3-4-5-6-7-8-9-10-12-17-13-11-14-18-21(17)24(30)26(23(18)29)19-15-16-20(27)25-22(19)28/h11,13-14,19H,2-10,12,15-16H2,1H3,(H,25,27,28)
InChIKeyMGPKXIFLYZUUSP-UHFFFAOYSA-N
MW412.53 g/mol
LogP4.16
Rot. Bonds11

About 2-(2,6-dioxopiperidin-3-yl)-4-undecylisoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-4-undecylisoindole-1,3-dione (PubChem CID 158773174) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-undecylisoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-4-undecylisoindole-1,3-dione
PubChem CID158773174
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-4-undecylisoindole-1,3-dione
SMILESCCCCCCCCCCCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C24H32N2O4/c1-2-3-4-5-6-7-8-9-10-12-17-13-11-14-18-21(17)24(30)26(23(18)29)19-15-16-20(27)25-22(19)28/h11,13-14,19H,2-10,12,15-16H2,1H3,(H,25,27,28)
InChIKeyMGPKXIFLYZUUSP-UHFFFAOYSA-N
XLogP4.16
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 154670467
4-(11-aminoundecyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 160780057
2-(2,6-dioxopiperidin-3-yl)-4-[11-(methylamino)undecyl]isoindole-1,3-dione
CID 167194550
2-(2,6-dioxopiperidin-3-yl)-4-[3-(2-methoxyethoxy)propyl]isoindole-1,3-dione
CID 155449044
2-(2,6-dioxopiperidin-3-yl)-4-[3-[2-(methylamino)ethoxy]propyl]isoindole-1,3-dione
CID 138694083
2-(2,6-dioxopiperidin-3-yl)-4-(4-pyrrolidin-3-ylbutyl)isoindole-1,3-dione
CID 134579763
4-(chloromethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 168870811
2-(2,4-dioxocyclohexyl)-4-heptylisoindole-1,3-dione
CID 157384519
4-[3-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
CID 155292239
4-[2-[4-[(4-butylpiperazin-1-yl)methyl]phenyl]ethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 159758570
2-[(3S)-2,6-dioxopiperidin-3-yl]-4-[5-(2-piperazin-1-ylethoxy)pentyl]isoindole-1,3-dione
CID 155673288
2-(2,6-dioxopiperidin-3-yl)-4-[5-(4-piperidin-4-ylpiperazin-1-yl)pentyl]isoindole-1,3-dione
CID 169150157

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-undecylisoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-undecylisoindole-1,3-dione (CID 158773174) is 2-(2,6-dioxopiperidin-3-yl)-4-undecylisoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-undecylisoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-undecylisoindole-1,3-dione is CCCCCCCCCCCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-undecylisoindole-1,3-dione?
The InChIKey is MGPKXIFLYZUUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-2-3-4-5-6-7-8-9-10-12-17-13-11-14-18-21(17)24(30)26(23(18)29)19-15-16-20(27)25-22(19)28/h11,13-14,19H,2-10,12,15-16H2,1H3,(H,25,27,28).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-undecylisoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-4-undecylisoindole-1,3-dione has a molecular weight of 412.53 g/mol, XLogP of 4.16, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-4-undecylisoindole-1,3-dione is sourced from PubChem (CID 158773174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).