5-[2-[4-(3-aminopropyl)piperidin-1-yl]-2-oxoethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C23H28N4O6 — CID 167508289

IUPAC5-[2-[4-(3-aminopropyl)piperidin-1-yl]-2-oxoethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESNCCCC1CCN(C(=O)COc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1
InChIInChI=1S/C23H28N4O6/c24-9-1-2-14-7-10-26(11-8-14)20(29)13-33-15-3-4-16-17(12-15)23(32)27(22(16)31)18-5-6-19(28)25-21(18)30/h3-4,12,14,18H,1-2,5-11,13,24H2,(H,25,28,30)
InChIKeyLURMAFWUNVKGFZ-UHFFFAOYSA-N
MW456.50 g/mol
LogP0.44
Rot. Bonds7

About 5-[2-[4-(3-aminopropyl)piperidin-1-yl]-2-oxoethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

5-[2-[4-(3-aminopropyl)piperidin-1-yl]-2-oxoethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 167508289) has the molecular formula C23H28N4O6 and a molecular weight of 456.50 g/mol. Its IUPAC name is 5-[2-[4-(3-aminopropyl)piperidin-1-yl]-2-oxoethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-[2-[4-(3-aminopropyl)piperidin-1-yl]-2-oxoethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID167508289
Molecular FormulaC23H28N4O6
Molecular Weight456.50 g/mol
Exact Mass456.20
IUPAC Name5-[2-[4-(3-aminopropyl)piperidin-1-yl]-2-oxoethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESNCCCC1CCN(C(=O)COc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1
InChIInChI=1S/C23H28N4O6/c24-9-1-2-14-7-10-26(11-8-14)20(29)13-33-15-3-4-16-17(12-15)23(32)27(22(16)31)18-5-6-19(28)25-21(18)30/h3-4,12,14,18H,1-2,5-11,13,24H2,(H,25,28,30)
InChIKeyLURMAFWUNVKGFZ-UHFFFAOYSA-N
XLogP0.44
TPSA139.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(10-aminodecyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetamide
CID 171554713
5-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
CID 169449996
[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl] 2-aminoacetate
CID 175130469
N-[2-(2-aminoethoxy)ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetamide;hydrochloride
CID 163297615
N-[4-(4-aminopiperidin-1-yl)butyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetamide
CID 171554881
5-(2-chloroethoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 135147131
tert-butyl 3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]azetidine-1-carboxylate
CID 171572268
2-(2,6-dioxopiperidin-3-yl)-5-[2-oxo-2-[4-[4-(2-piperidin-1-ylethyl)triazol-1-yl]piperidin-1-yl]ethoxy]isoindole-1,3-dione
CID 175715710
2-(2,6-dioxopiperidin-3-yl)-5-(6-oxoheptoxy)isoindole-1,3-dione
CID 134489038
6-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]azetidin-1-yl]pyridine-3-carboxylic acid
CID 134414054
2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxy-N-prop-2-ynylacetamide
CID 171158142
tert-butyl 4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]piperazine-1-carboxylate
CID 156820716

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(3-aminopropyl)piperidin-1-yl]-2-oxoethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 5-[2-[4-(3-aminopropyl)piperidin-1-yl]-2-oxoethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 167508289) is 5-[2-[4-(3-aminopropyl)piperidin-1-yl]-2-oxoethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 5-[2-[4-(3-aminopropyl)piperidin-1-yl]-2-oxoethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 5-[2-[4-(3-aminopropyl)piperidin-1-yl]-2-oxoethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is NCCCC1CCN(C(=O)COc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1.
What is the InChIKey of 5-[2-[4-(3-aminopropyl)piperidin-1-yl]-2-oxoethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is LURMAFWUNVKGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O6/c24-9-1-2-14-7-10-26(11-8-14)20(29)13-33-15-3-4-16-17(12-15)23(32)27(22(16)31)18-5-6-19(28)25-21(18)30/h3-4,12,14,18H,1-2,5-11,13,24H2,(H,25,28,30).
What are the key properties of 5-[2-[4-(3-aminopropyl)piperidin-1-yl]-2-oxoethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
5-[2-[4-(3-aminopropyl)piperidin-1-yl]-2-oxoethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 456.50 g/mol, XLogP of 0.44, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(3-aminopropyl)piperidin-1-yl]-2-oxoethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 167508289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).