methyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]carbamoyl]cubane-1-carboxylate

C24H19N3O7 — CID 171393695

IUPACmethyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]carbamoyl]cubane-1-carboxylate
SMILESCOC(=O)C12C3C4C1C1C2C3C41C(=O)Nc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C24H19N3O7/c1-34-22(33)24-15-12-16(24)14-17(24)13(15)23(12,14)21(32)25-7-2-3-8-9(6-7)20(31)27(19(8)30)10-4-5-11(28)26-18(10)29/h2-3,6,10,12-17H,4-5H2,1H3,(H,25,32)(H,26,28,29)
InChIKeySGTTVTPORCPSDX-UHFFFAOYSA-N
MW461.43 g/mol
LogP-0.06
Rot. Bonds4

About methyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]carbamoyl]cubane-1-carboxylate

methyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]carbamoyl]cubane-1-carboxylate (PubChem CID 171393695) has the molecular formula C24H19N3O7 and a molecular weight of 461.43 g/mol. Its IUPAC name is methyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]carbamoyl]cubane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]carbamoyl]cubane-1-carboxylate
PubChem CID171393695
Molecular FormulaC24H19N3O7
Molecular Weight461.43 g/mol
Exact Mass461.12
IUPAC Namemethyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]carbamoyl]cubane-1-carboxylate
SMILESCOC(=O)C12C3C4C1C1C2C3C41C(=O)Nc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C24H19N3O7/c1-34-22(33)24-15-12-16(24)14-17(24)13(15)23(12,14)21(32)25-7-2-3-8-9(6-7)20(31)27(19(8)30)10-4-5-11(28)26-18(10)29/h2-3,6,10,12-17H,4-5H2,1H3,(H,25,32)(H,26,28,29)
InChIKeySGTTVTPORCPSDX-UHFFFAOYSA-N
XLogP-0.06
TPSA138.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.43
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]carbamoyl]cubane-1-carboxylate with MolForge

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Related Compounds

N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]butanamide
CID 163906697
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]prop-2-enamide
CID 121448709
aniline;N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]acetamide
CID 159636176
2-(2,6-dioxopiperidin-3-yl)-5-(methylamino)isoindole-1,3-dione;ethane
CID 166535785
methyl 9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]nonanoate
CID 163374317
3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]-2-oxoethoxy]propanoic acid
CID 166994465
methyl 1-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylate
CID 166429544
2-(2-chlorophenyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methylpropanamide
CID 166426870
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methyl-2-thiophen-2-ylpropanamide
CID 166426864
2-(2,6-dioxopiperidin-3-yl)-5-[(2-oxo-2-piperidin-1-ylethyl)amino]isoindole-1,3-dione
CID 175943061
2,5-dibromo-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1H-imidazole-4-carboxamide
CID 177187881
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-(piperazin-1-ylmethyl)benzamide
CID 170980218

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]carbamoyl]cubane-1-carboxylate?
The IUPAC name of methyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]carbamoyl]cubane-1-carboxylate (CID 171393695) is methyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]carbamoyl]cubane-1-carboxylate.
What is the SMILES notation for methyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]carbamoyl]cubane-1-carboxylate?
The canonical SMILES for methyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]carbamoyl]cubane-1-carboxylate is COC(=O)C12C3C4C1C1C2C3C41C(=O)Nc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of methyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]carbamoyl]cubane-1-carboxylate?
The InChIKey is SGTTVTPORCPSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O7/c1-34-22(33)24-15-12-16(24)14-17(24)13(15)23(12,14)21(32)25-7-2-3-8-9(6-7)20(31)27(19(8)30)10-4-5-11(28)26-18(10)29/h2-3,6,10,12-17H,4-5H2,1H3,(H,25,32)(H,26,28,29).
What are the key properties of methyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]carbamoyl]cubane-1-carboxylate?
methyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]carbamoyl]cubane-1-carboxylate has a molecular weight of 461.43 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]carbamoyl]cubane-1-carboxylate is sourced from PubChem (CID 171393695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).