2-(4-aminocyclohexyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]acetamide

C21H26N4O4 — CID 175806262

IUPAC2-(4-aminocyclohexyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]acetamide
SMILESNC1CCC(CC(=O)Nc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)CC1
InChIInChI=1S/C21H26N4O4/c22-14-3-1-12(2-4-14)9-19(27)23-15-5-6-16-13(10-15)11-25(21(16)29)17-7-8-18(26)24-20(17)28/h5-6,10,12,14,17H,1-4,7-9,11,22H2,(H,23,27)(H,24,26,28)
InChIKeyJIEPITFVXPMPLG-UHFFFAOYSA-N
MW398.46 g/mol
LogP1.29
Rot. Bonds4

About 2-(4-aminocyclohexyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]acetamide

2-(4-aminocyclohexyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]acetamide (PubChem CID 175806262) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 2-(4-aminocyclohexyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]acetamide.

Molecular Properties

Compound Name2-(4-aminocyclohexyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]acetamide
PubChem CID175806262
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Name2-(4-aminocyclohexyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]acetamide
SMILESNC1CCC(CC(=O)Nc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)CC1
InChIInChI=1S/C21H26N4O4/c22-14-3-1-12(2-4-14)9-19(27)23-15-5-6-16-13(10-15)11-25(21(16)29)17-7-8-18(26)24-20(17)28/h5-6,10,12,14,17H,1-4,7-9,11,22H2,(H,23,27)(H,24,26,28)
InChIKeyJIEPITFVXPMPLG-UHFFFAOYSA-N
XLogP1.29
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,2-dimethylpropanamide
CID 176614145
N,N'-bis[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]propanediamide
CID 166027073
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2-(1H-indol-2-yl)acetamide
CID 177188173
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2-[1-(2-naphthalen-1-yl-1,3-thiazol-5-yl)piperidin-4-yl]acetamide
CID 176640381
1-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]carbamoyl]-1,3,3-trimethylurea
CID 166426847
3-[6-(2-bromoethylamino)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167274132
3-[6-[[(1S,2S)-2-aminocyclohexyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;formic acid
CID 160512500
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-azaspiro[3.5]nonane-6-carboxamide
CID 176766722
2-(dimethylamino)-N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]acetamide
CID 156502027
4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]butanoic acid
CID 167462909
tert-butyl (1S,4S)-5-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]-2-oxoethyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 172510359
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-methylpiperidine-1-carboxamide
CID 176766864

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminocyclohexyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]acetamide?
The IUPAC name of 2-(4-aminocyclohexyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]acetamide (CID 175806262) is 2-(4-aminocyclohexyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]acetamide.
What is the SMILES notation for 2-(4-aminocyclohexyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]acetamide?
The canonical SMILES for 2-(4-aminocyclohexyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]acetamide is NC1CCC(CC(=O)Nc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)CC1.
What is the InChIKey of 2-(4-aminocyclohexyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]acetamide?
The InChIKey is JIEPITFVXPMPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c22-14-3-1-12(2-4-14)9-19(27)23-15-5-6-16-13(10-15)11-25(21(16)29)17-7-8-18(26)24-20(17)28/h5-6,10,12,14,17H,1-4,7-9,11,22H2,(H,23,27)(H,24,26,28).
What are the key properties of 2-(4-aminocyclohexyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]acetamide?
2-(4-aminocyclohexyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]acetamide has a molecular weight of 398.46 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminocyclohexyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]acetamide is sourced from PubChem (CID 175806262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).