2-(2,6-dioxopiperidin-3-yl)-N-[(1-ethylcyclopentyl)methyl]-1,3-dioxoisoindole-5-carboxamide

C22H25N3O5 — CID 166426918

IUPAC2-(2,6-dioxopiperidin-3-yl)-N-[(1-ethylcyclopentyl)methyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCCC1(CNC(=O)c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CCCC1
InChIInChI=1S/C22H25N3O5/c1-2-22(9-3-4-10-22)12-23-18(27)13-5-6-14-15(11-13)21(30)25(20(14)29)16-7-8-17(26)24-19(16)28/h5-6,11,16H,2-4,7-10,12H2,1H3,(H,23,27)(H,24,26,28)
InChIKeyMYMHQXLKDJYVRI-UHFFFAOYSA-N
MW411.46 g/mol
LogP1.79
Rot. Bonds5

About 2-(2,6-dioxopiperidin-3-yl)-N-[(1-ethylcyclopentyl)methyl]-1,3-dioxoisoindole-5-carboxamide

2-(2,6-dioxopiperidin-3-yl)-N-[(1-ethylcyclopentyl)methyl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 166426918) has the molecular formula C22H25N3O5 and a molecular weight of 411.46 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-N-[(1-ethylcyclopentyl)methyl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-N-[(1-ethylcyclopentyl)methyl]-1,3-dioxoisoindole-5-carboxamide
PubChem CID166426918
Molecular FormulaC22H25N3O5
Molecular Weight411.46 g/mol
Exact Mass411.18
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-N-[(1-ethylcyclopentyl)methyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCCC1(CNC(=O)c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CCCC1
InChIInChI=1S/C22H25N3O5/c1-2-22(9-3-4-10-22)12-23-18(27)13-5-6-14-15(11-13)21(30)25(20(14)29)16-7-8-17(26)24-19(16)28/h5-6,11,16H,2-4,7-10,12H2,1H3,(H,23,27)(H,24,26,28)
InChIKeyMYMHQXLKDJYVRI-UHFFFAOYSA-N
XLogP1.79
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 51.79
H-Bond Donors ≤ 52
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)-N-(2-methylprop-2-enyl)-1,3-dioxoisoindole-5-carboxamide
CID 166426897
N-(3-aminopropyl)-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 166000888
4-acetyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]benzamide
CID 71122531
4-tert-butyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]benzamide
CID 24788307
N-[(4-tert-butyl-1,2-oxazol-3-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxamide
CID 166426954
N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxamide
CID 172937040
2-(2,6-dioxopiperidin-3-yl)-N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 166426895
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]butanamide
CID 163906697
4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbonyl]-N,N-dimethylpiperazine-1-carboxamide
CID 166426937
5-(azetidin-1-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 164846090
4-[[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]amino]methyl]-N-ethylbenzamide
CID 167088474
5-(3,3-dimethylpiperidin-1-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 175659776

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-N-[(1-ethylcyclopentyl)methyl]-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-N-[(1-ethylcyclopentyl)methyl]-1,3-dioxoisoindole-5-carboxamide (CID 166426918) is 2-(2,6-dioxopiperidin-3-yl)-N-[(1-ethylcyclopentyl)methyl]-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-N-[(1-ethylcyclopentyl)methyl]-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-N-[(1-ethylcyclopentyl)methyl]-1,3-dioxoisoindole-5-carboxamide is CCC1(CNC(=O)c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CCCC1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-N-[(1-ethylcyclopentyl)methyl]-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is MYMHQXLKDJYVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5/c1-2-22(9-3-4-10-22)12-23-18(27)13-5-6-14-15(11-13)21(30)25(20(14)29)16-7-8-17(26)24-19(16)28/h5-6,11,16H,2-4,7-10,12H2,1H3,(H,23,27)(H,24,26,28).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-N-[(1-ethylcyclopentyl)methyl]-1,3-dioxoisoindole-5-carboxamide?
2-(2,6-dioxopiperidin-3-yl)-N-[(1-ethylcyclopentyl)methyl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-N-[(1-ethylcyclopentyl)methyl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 166426918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).