4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbonyl]-N,N-dimethylpiperazine-1-carboxamide

C21H23N5O6 — CID 166426937

IUPAC4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbonyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(C(=O)c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1
InChIInChI=1S/C21H23N5O6/c1-23(2)21(32)25-9-7-24(8-10-25)18(29)12-3-4-13-14(11-12)20(31)26(19(13)30)15-5-6-16(27)22-17(15)28/h3-4,11,15H,5-10H2,1-2H3,(H,22,27,28)
InChIKeyMNDGJZGICOUDBZ-UHFFFAOYSA-N
MW441.44 g/mol
LogP-0.47
Rot. Bonds2

About 4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbonyl]-N,N-dimethylpiperazine-1-carboxamide

4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbonyl]-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 166426937) has the molecular formula C21H23N5O6 and a molecular weight of 441.44 g/mol. Its IUPAC name is 4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbonyl]-N,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbonyl]-N,N-dimethylpiperazine-1-carboxamide
PubChem CID166426937
Molecular FormulaC21H23N5O6
Molecular Weight441.44 g/mol
Exact Mass441.16
IUPAC Name4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbonyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(C(=O)c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1
InChIInChI=1S/C21H23N5O6/c1-23(2)21(32)25-9-7-24(8-10-25)18(29)12-3-4-13-14(11-12)20(31)26(19(13)30)15-5-6-16(27)22-17(15)28/h3-4,11,15H,5-10H2,1-2H3,(H,22,27,28)
InChIKeyMNDGJZGICOUDBZ-UHFFFAOYSA-N
XLogP-0.47
TPSA127.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.44
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbonyl]-N,N-dimethylpiperazine-1-carboxamide with MolForge

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Related Compounds

2-(2,6-dioxopiperidin-3-yl)-5-[4-[phenyl(pyridin-3-yl)methyl]piperazine-1-carbonyl]isoindole-1,3-dione
CID 171829167
5-(dimethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 159256748
tert-butyl 4-[2-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]methoxy]ethyl]piperidine-1-carboxylate
CID 166066158
N,N-dimethyl-4-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperazine-1-carboxamide
CID 108568252
5-[3-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]imidazolidine-1-carbonyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 170784183
2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione;ethane
CID 142365131
2-(2,6-dioxopiperidin-3-yl)-N-(2-methylprop-2-enyl)-1,3-dioxoisoindole-5-carboxamide
CID 166426897
5-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazine-1-carbonyl]-1-methylpyrazole-3-carboxylic acid
CID 168882586
2-(2,6-dioxopiperidin-3-yl)-5-(1-methylpiperidin-4-yl)isoindole-1,3-dione
CID 165380103
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbonyl]-N,N-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbonyl]-N,N-dimethylpiperazine-1-carboxamide (CID 166426937) is 4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbonyl]-N,N-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbonyl]-N,N-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbonyl]-N,N-dimethylpiperazine-1-carboxamide is CN(C)C(=O)N1CCN(C(=O)c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1.
What is the InChIKey of 4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbonyl]-N,N-dimethylpiperazine-1-carboxamide?
The InChIKey is MNDGJZGICOUDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O6/c1-23(2)21(32)25-9-7-24(8-10-25)18(29)12-3-4-13-14(11-12)20(31)26(19(13)30)15-5-6-16(27)22-17(15)28/h3-4,11,15H,5-10H2,1-2H3,(H,22,27,28).
What are the key properties of 4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbonyl]-N,N-dimethylpiperazine-1-carboxamide?
4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbonyl]-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 441.44 g/mol, XLogP of -0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbonyl]-N,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 166426937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).