3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-N-ethylpropanamide

C22H27N5O5 — CID 167088560

IUPAC3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-N-ethylpropanamide
SMILESCCNC(=O)CCN1CCN(c2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1
InChIInChI=1S/C22H27N5O5/c1-2-23-17(28)8-9-25-10-12-26(13-11-25)15-5-3-4-14-19(15)22(32)27(21(14)31)16-6-7-18(29)24-20(16)30/h3-5,16H,2,6-13H2,1H3,(H,23,28)(H,24,29,30)
InChIKeyPNNJXFVEPDPIEG-UHFFFAOYSA-N
MW441.49 g/mol
LogP-0.26
Rot. Bonds6

About 3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-N-ethylpropanamide

3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-N-ethylpropanamide (PubChem CID 167088560) has the molecular formula C22H27N5O5 and a molecular weight of 441.49 g/mol. Its IUPAC name is 3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-N-ethylpropanamide.

Molecular Properties

Compound Name3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-N-ethylpropanamide
PubChem CID167088560
Molecular FormulaC22H27N5O5
Molecular Weight441.49 g/mol
Exact Mass441.20
IUPAC Name3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-N-ethylpropanamide
SMILESCCNC(=O)CCN1CCN(c2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1
InChIInChI=1S/C22H27N5O5/c1-2-23-17(28)8-9-25-10-12-26(13-11-25)15-5-3-4-14-19(15)22(32)27(21(14)31)16-6-7-18(29)24-20(16)30/h3-5,16H,2,6-13H2,1H3,(H,23,28)(H,24,29,30)
InChIKeyPNNJXFVEPDPIEG-UHFFFAOYSA-N
XLogP-0.26
TPSA119.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 5-0.26
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

tert-butyl N-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]ethyl]carbamate
CID 170733148
4-[4-(2-aminoethyl)piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;dihydrochloride
CID 166428474
[5-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-2-methylpentan-2-yl] carbamate
CID 175986980
tert-butyl 4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazine-1-carboxylate
CID 135147127
tert-butyl N-tert-butyl-N-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]ethyl]carbamate
CID 172561898
4-[4-(cyclohexylmethyl)piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 177190859
4-[4-[3-(3-aminopropoxy)propyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;dihydrochloride
CID 166428482
2-(2,6-dioxopiperidin-3-yl)-4-[[3-oxo-3-(4-propylpiperazin-1-yl)propyl]amino]isoindole-1,3-dione
CID 149239463
tert-butyl 2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]methyl]piperidin-1-yl]acetate
CID 172604882
2-(2,6-dioxopiperidin-3-yl)-4-(3-oxoazetidin-1-yl)isoindole-1,3-dione
CID 166143101
1-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]ethyl]piperidine-4-carboxylic acid
CID 175660737
4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-2,6-diazaspiro[3.3]heptan-6-yl]butanoic acid
CID 167462739

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-N-ethylpropanamide?
The IUPAC name of 3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-N-ethylpropanamide (CID 167088560) is 3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-N-ethylpropanamide.
What is the SMILES notation for 3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-N-ethylpropanamide?
The canonical SMILES for 3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-N-ethylpropanamide is CCNC(=O)CCN1CCN(c2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1.
What is the InChIKey of 3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-N-ethylpropanamide?
The InChIKey is PNNJXFVEPDPIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O5/c1-2-23-17(28)8-9-25-10-12-26(13-11-25)15-5-3-4-14-19(15)22(32)27(21(14)31)16-6-7-18(29)24-20(16)30/h3-5,16H,2,6-13H2,1H3,(H,23,28)(H,24,29,30).
What are the key properties of 3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-N-ethylpropanamide?
3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-N-ethylpropanamide has a molecular weight of 441.49 g/mol, XLogP of -0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-N-ethylpropanamide is sourced from PubChem (CID 167088560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).