5-[(2R)-4-(cyclohexanecarbonyl)-2-methylpiperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C25H30N4O5 — CID 171406991

IUPAC5-[(2R)-4-(cyclohexanecarbonyl)-2-methylpiperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESC[C@@H]1CN(C(=O)C2CCCCC2)CCN1c1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C25H30N4O5/c1-15-14-27(23(32)16-5-3-2-4-6-16)11-12-28(15)17-7-8-18-19(13-17)25(34)29(24(18)33)20-9-10-21(30)26-22(20)31/h7-8,13,15-16,20H,2-6,9-12,14H2,1H3,(H,26,30,31)/t15-,20?/m1/s1
InChIKeyBWZVWMICVMLQFB-IWPPFLRJSA-N
MW466.54 g/mol
LogP1.71
Rot. Bonds3

About 5-[(2R)-4-(cyclohexanecarbonyl)-2-methylpiperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

5-[(2R)-4-(cyclohexanecarbonyl)-2-methylpiperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 171406991) has the molecular formula C25H30N4O5 and a molecular weight of 466.54 g/mol. Its IUPAC name is 5-[(2R)-4-(cyclohexanecarbonyl)-2-methylpiperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-[(2R)-4-(cyclohexanecarbonyl)-2-methylpiperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID171406991
Molecular FormulaC25H30N4O5
Molecular Weight466.54 g/mol
Exact Mass466.22
IUPAC Name5-[(2R)-4-(cyclohexanecarbonyl)-2-methylpiperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESC[C@@H]1CN(C(=O)C2CCCCC2)CCN1c1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C25H30N4O5/c1-15-14-27(23(32)16-5-3-2-4-6-16)11-12-28(15)17-7-8-18-19(13-17)25(34)29(24(18)33)20-9-10-21(30)26-22(20)31/h7-8,13,15-16,20H,2-6,9-12,14H2,1H3,(H,26,30,31)/t15-,20?/m1/s1
InChIKeyBWZVWMICVMLQFB-IWPPFLRJSA-N
XLogP1.71
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 51.71
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

5-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 171406896
5-[3-[4-(cyclohexanecarbonyl)piperazin-1-yl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 156709713
1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-2-carboxylic acid
CID 171158118
(3R)-1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidine-3-carboxylic acid
CID 134413856
5-(azetidin-1-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 164846090
5-(3,3-dimethylpiperidin-1-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 175659776
4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methylpiperazine-1-carbonyl]benzoic acid
CID 162482554
2-(2,6-dioxopiperidin-3-yl)-5-(3-iodopyrrolidin-1-yl)isoindole-1,3-dione
CID 155177559
2-(2,6-dioxopiperidin-3-yl)-5-(4-methylpiperazin-1-yl)isoindole-1,3-dione;ethane
CID 171786631
(3S)-1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidine-3-carbaldehyde
CID 146485017
2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione
CID 134413720
5-(5-tert-butyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 176841828

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-4-(cyclohexanecarbonyl)-2-methylpiperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 5-[(2R)-4-(cyclohexanecarbonyl)-2-methylpiperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 171406991) is 5-[(2R)-4-(cyclohexanecarbonyl)-2-methylpiperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 5-[(2R)-4-(cyclohexanecarbonyl)-2-methylpiperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 5-[(2R)-4-(cyclohexanecarbonyl)-2-methylpiperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is C[C@@H]1CN(C(=O)C2CCCCC2)CCN1c1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 5-[(2R)-4-(cyclohexanecarbonyl)-2-methylpiperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is BWZVWMICVMLQFB-IWPPFLRJSA-N. The full InChI is InChI=1S/C25H30N4O5/c1-15-14-27(23(32)16-5-3-2-4-6-16)11-12-28(15)17-7-8-18-19(13-17)25(34)29(24(18)33)20-9-10-21(30)26-22(20)31/h7-8,13,15-16,20H,2-6,9-12,14H2,1H3,(H,26,30,31)/t15-,20?/m1/s1.
What are the key properties of 5-[(2R)-4-(cyclohexanecarbonyl)-2-methylpiperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
5-[(2R)-4-(cyclohexanecarbonyl)-2-methylpiperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 466.54 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-4-(cyclohexanecarbonyl)-2-methylpiperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 171406991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).