N-(2-aminoethyl)-1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carboxamide

C20H28N4O3 — CID 19003324

IUPACN-(2-aminoethyl)-1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carboxamide
SMILESCC1(C)CC(N2C(=O)c3ccc(C(=O)NCCN)cc3C2=O)CC(C)(C)N1
InChIInChI=1S/C20H28N4O3/c1-19(2)10-13(11-20(3,4)23-19)24-17(26)14-6-5-12(9-15(14)18(24)27)16(25)22-8-7-21/h5-6,9,13,23H,7-8,10-11,21H2,1-4H3,(H,22,25)
InChIKeyOHPVBJLMTTYHFZ-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.28
Rot. Bonds4

About N-(2-aminoethyl)-1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carboxamide

N-(2-aminoethyl)-1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carboxamide (PubChem CID 19003324) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-(2-aminoethyl)-1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carboxamide
PubChem CID19003324
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-(2-aminoethyl)-1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carboxamide
SMILESCC1(C)CC(N2C(=O)c3ccc(C(=O)NCCN)cc3C2=O)CC(C)(C)N1
InChIInChI=1S/C20H28N4O3/c1-19(2)10-13(11-20(3,4)23-19)24-17(26)14-6-5-12(9-15(14)18(24)27)16(25)22-8-7-21/h5-6,9,13,23H,7-8,10-11,21H2,1-4H3,(H,22,25)
InChIKeyOHPVBJLMTTYHFZ-UHFFFAOYSA-N
XLogP1.28
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.28
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

1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carbonyl bromide
CID 19003320
[3-[3-[1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carbonyl]oxy-2-hydroxypropoxy]-2-hydroxypropyl] 1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carboxylate
CID 54464966
N-(2-amino-2-methylpropyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119627052
N-(3-aminopropyl)-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 166000888
dimethyl 2-[[4-[1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carbonyl]oxyphenyl]methylidene]propanedioate
CID 19003282
N-(3-amino-2-methylpropyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide
CID 119997286
2-methyl-N-[5-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]pentyl]-1,3-dioxoisoindole-5-carboxamide
CID 169211222
2-cyclohexyl-N-[2-(3,3-dimethylbutanoylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 108572001
2-cyclohexyl-1,3-dioxo-N-[3-oxo-3-(propan-2-ylamino)propyl]isoindole-5-carboxamide
CID 55599710
2-cyclohexyl-1,3-dioxo-N-(3-propan-2-yloxypropyl)isoindole-5-carboxamide
CID 34375747
N-[4-[(1,3-dioxoisoindole-5-carbonyl)amino]butyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 169211208
ethyl 4-[5-(3-methylbutylcarbamoyl)-1,3-dioxoisoindol-2-yl]piperidine-1-carboxylate
CID 24761439

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carboxamide (CID 19003324) is N-(2-aminoethyl)-1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carboxamide is CC1(C)CC(N2C(=O)c3ccc(C(=O)NCCN)cc3C2=O)CC(C)(C)N1.
What is the InChIKey of N-(2-aminoethyl)-1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carboxamide?
The InChIKey is OHPVBJLMTTYHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-19(2)10-13(11-20(3,4)23-19)24-17(26)14-6-5-12(9-15(14)18(24)27)16(25)22-8-7-21/h5-6,9,13,23H,7-8,10-11,21H2,1-4H3,(H,22,25).
What are the key properties of N-(2-aminoethyl)-1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carboxamide?
N-(2-aminoethyl)-1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1,3-dioxo-2-(2,2,6,6-tetramethylpiperidin-4-yl)isoindole-5-carboxamide is sourced from PubChem (CID 19003324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).