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

C25H29N3O5 — CID 175655712

IUPAC4-[2-[1-(cyclobutanecarbonyl)piperidin-4-yl]ethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cccc(CCC4CCN(C(=O)C5CCC5)CC4)c3C2=O)C(=O)N1
InChIInChI=1S/C25H29N3O5/c29-20-10-9-19(22(30)26-20)28-24(32)18-6-2-3-16(21(18)25(28)33)8-7-15-11-13-27(14-12-15)23(31)17-4-1-5-17/h2-3,6,15,17,19H,1,4-5,7-14H2,(H,26,29,30)
InChIKeyJQJOCHFJZYXMSS-UHFFFAOYSA-N
MW451.52 g/mol
LogP2.06
Rot. Bonds5

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

4-[2-[1-(cyclobutanecarbonyl)piperidin-4-yl]ethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 175655712) has the molecular formula C25H29N3O5 and a molecular weight of 451.52 g/mol. Its IUPAC name is 4-[2-[1-(cyclobutanecarbonyl)piperidin-4-yl]ethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[2-[1-(cyclobutanecarbonyl)piperidin-4-yl]ethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID175655712
Molecular FormulaC25H29N3O5
Molecular Weight451.52 g/mol
Exact Mass451.21
IUPAC Name4-[2-[1-(cyclobutanecarbonyl)piperidin-4-yl]ethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cccc(CCC4CCN(C(=O)C5CCC5)CC4)c3C2=O)C(=O)N1
InChIInChI=1S/C25H29N3O5/c29-20-10-9-19(22(30)26-20)28-24(32)18-6-2-3-16(21(18)25(28)33)8-7-15-11-13-27(14-12-15)23(31)17-4-1-5-17/h2-3,6,15,17,19H,1,4-5,7-14H2,(H,26,29,30)
InChIKeyJQJOCHFJZYXMSS-UHFFFAOYSA-N
XLogP2.06
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dioxopiperidin-3-yl)-4-[[4-(piperazine-1-carbonyl)piperidin-1-yl]methyl]isoindole-1,3-dione
CID 167719281
2-(2,6-dioxopiperidin-3-yl)-4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]isoindole-1,3-dione
CID 167431824
tert-butyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]piperidine-1-carboxylate
CID 162482506
4-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 154670467
2-(2,6-dioxopiperidin-3-yl)-4-[[4-(2-piperidin-4-ylethyl)piperidin-1-yl]methyl]isoindole-1,3-dione
CID 167718533
N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]cyclopropanecarboxamide
CID 10155135
4-(chloromethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 168870811
2-(2,6-dioxopiperidin-3-yl)-4-[[4-[2-[(2S)-pyrrolidin-2-yl]ethyl]piperidin-1-yl]methyl]isoindole-1,3-dione
CID 167742421
2-(2,6-dioxopiperidin-3-yl)-4-undecylisoindole-1,3-dione
CID 158773174
4-(11-aminoundecyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 160780057
2-(2,6-dioxopiperidin-3-yl)-4-[3-(2-methoxyethoxy)propyl]isoindole-1,3-dione
CID 155449044
2-(2,6-dioxopiperidin-3-yl)-4-[2-[1-[(6-ethenyl-3-pyridinyl)methyl]azetidin-3-yl]ethyl]isoindole-1,3-dione
CID 138574795

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(cyclobutanecarbonyl)piperidin-4-yl]ethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 4-[2-[1-(cyclobutanecarbonyl)piperidin-4-yl]ethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 175655712) is 4-[2-[1-(cyclobutanecarbonyl)piperidin-4-yl]ethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 4-[2-[1-(cyclobutanecarbonyl)piperidin-4-yl]ethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 4-[2-[1-(cyclobutanecarbonyl)piperidin-4-yl]ethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is O=C1CCC(N2C(=O)c3cccc(CCC4CCN(C(=O)C5CCC5)CC4)c3C2=O)C(=O)N1.
What is the InChIKey of 4-[2-[1-(cyclobutanecarbonyl)piperidin-4-yl]ethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is JQJOCHFJZYXMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O5/c29-20-10-9-19(22(30)26-20)28-24(32)18-6-2-3-16(21(18)25(28)33)8-7-15-11-13-27(14-12-15)23(31)17-4-1-5-17/h2-3,6,15,17,19H,1,4-5,7-14H2,(H,26,29,30).
What are the key properties of 4-[2-[1-(cyclobutanecarbonyl)piperidin-4-yl]ethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
4-[2-[1-(cyclobutanecarbonyl)piperidin-4-yl]ethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 451.52 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(cyclobutanecarbonyl)piperidin-4-yl]ethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 175655712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).