2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-N-methyl-2-piperazin-1-ylpropanamide

C21H25N5O5 — CID 175819386

IUPAC2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-N-methyl-2-piperazin-1-ylpropanamide
SMILESCNC(=O)C(C)(c1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O)N1CCNCC1
InChIInChI=1S/C21H25N5O5/c1-21(20(31)22-2,25-9-7-23-8-10-25)12-3-4-13-14(11-12)19(30)26(18(13)29)15-5-6-16(27)24-17(15)28/h3-4,11,15,23H,5-10H2,1-2H3,(H,22,31)(H,24,27,28)
InChIKeyCQNXBAOVMOEKOF-UHFFFAOYSA-N
MW427.46 g/mol
LogP-1.05
Rot. Bonds4

About 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-N-methyl-2-piperazin-1-ylpropanamide

2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-N-methyl-2-piperazin-1-ylpropanamide (PubChem CID 175819386) has the molecular formula C21H25N5O5 and a molecular weight of 427.46 g/mol. Its IUPAC name is 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-N-methyl-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound Name2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-N-methyl-2-piperazin-1-ylpropanamide
PubChem CID175819386
Molecular FormulaC21H25N5O5
Molecular Weight427.46 g/mol
Exact Mass427.19
IUPAC Name2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-N-methyl-2-piperazin-1-ylpropanamide
SMILESCNC(=O)C(C)(c1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O)N1CCNCC1
InChIInChI=1S/C21H25N5O5/c1-21(20(31)22-2,25-9-7-23-8-10-25)12-3-4-13-14(11-12)19(30)26(18(13)29)15-5-6-16(27)24-17(15)28/h3-4,11,15,23H,5-10H2,1-2H3,(H,22,31)(H,24,27,28)
InChIKeyCQNXBAOVMOEKOF-UHFFFAOYSA-N
XLogP-1.05
TPSA127.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione
CID 134413720
2-(2,6-dioxopiperidin-3-yl)-5-(2-piperazin-1-ylethylamino)isoindole-1,3-dione
CID 163294539
4-tert-butyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]benzamide
CID 24788307
2-(2,6-dioxopiperidin-3-yl)-5-(methylamino)isoindole-1,3-dione;ethane
CID 166535785
2-(2,6-dioxopiperidin-3-yl)-5-piperidin-4-ylisoindole-1,3-dione;ethane
CID 142367515
2-(2,6-dioxopiperidin-3-yl)-5-(3-piperazin-1-ylazetidin-1-yl)isoindole-1,3-dione;ethane
CID 156709609
2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;ethane;prop-1-ene
CID 142368742
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-(piperazin-1-ylmethyl)benzamide
CID 170980218
2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione;ethane
CID 142365131
2-(2,6-dioxopiperidin-3-yl)-5-[2-(piperidin-4-ylamino)ethylamino]isoindole-1,3-dione
CID 135175162
2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]-N-methylacetamide
CID 175659721
2-(2,6-dioxopiperidin-3-yl)-5-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]isoindole-1,3-dione
CID 167720194

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-N-methyl-2-piperazin-1-ylpropanamide?
The IUPAC name of 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-N-methyl-2-piperazin-1-ylpropanamide (CID 175819386) is 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-N-methyl-2-piperazin-1-ylpropanamide.
What is the SMILES notation for 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-N-methyl-2-piperazin-1-ylpropanamide?
The canonical SMILES for 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-N-methyl-2-piperazin-1-ylpropanamide is CNC(=O)C(C)(c1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O)N1CCNCC1.
What is the InChIKey of 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-N-methyl-2-piperazin-1-ylpropanamide?
The InChIKey is CQNXBAOVMOEKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O5/c1-21(20(31)22-2,25-9-7-23-8-10-25)12-3-4-13-14(11-12)19(30)26(18(13)29)15-5-6-16(27)24-17(15)28/h3-4,11,15,23H,5-10H2,1-2H3,(H,22,31)(H,24,27,28).
What are the key properties of 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-N-methyl-2-piperazin-1-ylpropanamide?
2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-N-methyl-2-piperazin-1-ylpropanamide has a molecular weight of 427.46 g/mol, XLogP of -1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-N-methyl-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 175819386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).