4-[3-[2-(4-aminopiperidin-1-yl)-2-oxoethoxy]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C23H27N5O6 — CID 167462623

IUPAC4-[3-[2-(4-aminopiperidin-1-yl)-2-oxoethoxy]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESNC1CCN(C(=O)COC2CN(c3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)CC1
InChIInChI=1S/C23H27N5O6/c24-13-6-8-26(9-7-13)19(30)12-34-14-10-27(11-14)16-3-1-2-15-20(16)23(33)28(22(15)32)17-4-5-18(29)25-21(17)31/h1-3,13-14,17H,4-12,24H2,(H,25,29,31)
InChIKeyOORFLUZLQBWDPO-UHFFFAOYSA-N
MW469.50 g/mol
LogP-0.76
Rot. Bonds5

About 4-[3-[2-(4-aminopiperidin-1-yl)-2-oxoethoxy]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

4-[3-[2-(4-aminopiperidin-1-yl)-2-oxoethoxy]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 167462623) has the molecular formula C23H27N5O6 and a molecular weight of 469.50 g/mol. Its IUPAC name is 4-[3-[2-(4-aminopiperidin-1-yl)-2-oxoethoxy]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[3-[2-(4-aminopiperidin-1-yl)-2-oxoethoxy]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID167462623
Molecular FormulaC23H27N5O6
Molecular Weight469.50 g/mol
Exact Mass469.20
IUPAC Name4-[3-[2-(4-aminopiperidin-1-yl)-2-oxoethoxy]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESNC1CCN(C(=O)COC2CN(c3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)CC1
InChIInChI=1S/C23H27N5O6/c24-13-6-8-26(9-7-13)19(30)12-34-14-10-27(11-14)16-3-1-2-15-20(16)23(33)28(22(15)32)17-4-5-18(29)25-21(17)31/h1-3,13-14,17H,4-12,24H2,(H,25,29,31)
InChIKeyOORFLUZLQBWDPO-UHFFFAOYSA-N
XLogP-0.76
TPSA142.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.50
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[2-[(3R)-3-aminopiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167462616
1-[2-[(3R)-1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-3-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 162482451
4-[4-(4-aminopiperidin-1-yl)-4-oxobutyl]sulfanyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 177098397
2-(2,6-dioxopiperidin-3-yl)-4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]isoindole-1,3-dione
CID 167431824
4-[(4-aminopiperidin-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167727971
tert-butyl 4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazine-1-carboxylate
CID 135147127
2-(2,6-dioxopiperidin-3-yl)-4-(2-oxo-2-piperazin-1-ylethoxy)isoindole-1,3-dione
CID 155292507
2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]acetaldehyde
CID 146599012
2-(2,6-dioxopiperidin-3-yl)-4-(3-oxoazetidin-1-yl)isoindole-1,3-dione
CID 166143101
4-[3-(azidomethyl)azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 171158469
4-(4-deuteriopiperazin-1-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 175829262
4-[2-[2-[4-(4-aminocyclohexyl)piperazin-1-yl]-2-oxoethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167463016

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(4-aminopiperidin-1-yl)-2-oxoethoxy]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 4-[3-[2-(4-aminopiperidin-1-yl)-2-oxoethoxy]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 167462623) is 4-[3-[2-(4-aminopiperidin-1-yl)-2-oxoethoxy]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 4-[3-[2-(4-aminopiperidin-1-yl)-2-oxoethoxy]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 4-[3-[2-(4-aminopiperidin-1-yl)-2-oxoethoxy]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is NC1CCN(C(=O)COC2CN(c3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)CC1.
What is the InChIKey of 4-[3-[2-(4-aminopiperidin-1-yl)-2-oxoethoxy]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is OORFLUZLQBWDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O6/c24-13-6-8-26(9-7-13)19(30)12-34-14-10-27(11-14)16-3-1-2-15-20(16)23(33)28(22(15)32)17-4-5-18(29)25-21(17)31/h1-3,13-14,17H,4-12,24H2,(H,25,29,31).
What are the key properties of 4-[3-[2-(4-aminopiperidin-1-yl)-2-oxoethoxy]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
4-[3-[2-(4-aminopiperidin-1-yl)-2-oxoethoxy]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 469.50 g/mol, XLogP of -0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(4-aminopiperidin-1-yl)-2-oxoethoxy]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 167462623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).