benzyl N-[[3-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl]methyl]carbamate

C22H19N3O6 — CID 58572152

IUPACbenzyl N-[[3-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl]methyl]carbamate
SMILESO=C1CCC(CNC(=O)OCc2ccccc2)(N2C(=O)c3ccccc3C2=O)C(=O)N1
InChIInChI=1S/C22H19N3O6/c26-17-10-11-22(20(29)24-17,13-23-21(30)31-12-14-6-2-1-3-7-14)25-18(27)15-8-4-5-9-16(15)19(25)28/h1-9H,10-13H2,(H,23,30)(H,24,26,29)
InChIKeyGGOMDTRWDJVGGY-UHFFFAOYSA-N
MW421.41 g/mol
LogP1.38
Rot. Bonds5

About benzyl N-[[3-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl]methyl]carbamate

benzyl N-[[3-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl]methyl]carbamate (PubChem CID 58572152) has the molecular formula C22H19N3O6 and a molecular weight of 421.41 g/mol. Its IUPAC name is benzyl N-[[3-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl]methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[[3-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl]methyl]carbamate
PubChem CID58572152
Molecular FormulaC22H19N3O6
Molecular Weight421.41 g/mol
Exact Mass421.13
IUPAC Namebenzyl N-[[3-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl]methyl]carbamate
SMILESO=C1CCC(CNC(=O)OCc2ccccc2)(N2C(=O)c3ccccc3C2=O)C(=O)N1
InChIInChI=1S/C22H19N3O6/c26-17-10-11-22(20(29)24-17,13-23-21(30)31-12-14-6-2-1-3-7-14)25-18(27)15-8-4-5-9-16(15)19(25)28/h1-9H,10-13H2,(H,23,30)(H,24,26,29)
InChIKeyGGOMDTRWDJVGGY-UHFFFAOYSA-N
XLogP1.38
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.41
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(4-acetamido-1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl]methyl]acetamide
CID 58572144
benzyl N-[[3-(benzylideneamino)-2,6-dioxopiperidin-3-yl]methyl]carbamate
CID 58572171
benzyl N-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]carbamate
CID 139248273
4-amino-2-(3-benzyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 166923781
2-(3-benzyl-2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione
CID 166923724
1-(phenylmethoxycarbonylaminomethyl)cyclopentane-1-carboxylic acid
CID 69223765
benzyl N-[(2S)-1-[[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 139248277
benzyl N-[(3-fluoropyrrolidin-3-yl)methyl]carbamate
CID 118798402
benzyl N-[(1-aminocycloheptyl)methyl]carbamate
CID 66523425
4-(phenylmethoxycarbonylaminomethyl)oxane-4-carboxylic acid
CID 91667078
2-(3-benzyl-2,6-dioxopiperidin-3-yl)-4-hydroxy-5-(1H-pyrazol-4-yl)isoindole-1,3-dione
CID 166923902
benzyl carbamate;piperidine-2,6-dione
CID 174491425

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[3-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl]methyl]carbamate?
The IUPAC name of benzyl N-[[3-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl]methyl]carbamate (CID 58572152) is benzyl N-[[3-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl]methyl]carbamate.
What is the SMILES notation for benzyl N-[[3-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl]methyl]carbamate?
The canonical SMILES for benzyl N-[[3-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl]methyl]carbamate is O=C1CCC(CNC(=O)OCc2ccccc2)(N2C(=O)c3ccccc3C2=O)C(=O)N1.
What is the InChIKey of benzyl N-[[3-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl]methyl]carbamate?
The InChIKey is GGOMDTRWDJVGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O6/c26-17-10-11-22(20(29)24-17,13-23-21(30)31-12-14-6-2-1-3-7-14)25-18(27)15-8-4-5-9-16(15)19(25)28/h1-9H,10-13H2,(H,23,30)(H,24,26,29).
What are the key properties of benzyl N-[[3-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl]methyl]carbamate?
benzyl N-[[3-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl]methyl]carbamate has a molecular weight of 421.41 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[3-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl]methyl]carbamate is sourced from PubChem (CID 58572152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).