(2-oxo-2-piperidin-1-ylethyl) 2-(1,3-dioxoisoindol-2-yl)propanoate

C18H20N2O5 — CID 4306811

IUPAC(2-oxo-2-piperidin-1-ylethyl) 2-(1,3-dioxoisoindol-2-yl)propanoate
SMILESCC(C(=O)OCC(=O)N1CCCCC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H20N2O5/c1-12(18(24)25-11-15(21)19-9-5-2-6-10-19)20-16(22)13-7-3-4-8-14(13)17(20)23/h3-4,7-8,12H,2,5-6,9-11H2,1H3
InChIKeyQDEZMCUDSJGPDC-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.23
Rot. Bonds4

About (2-oxo-2-piperidin-1-ylethyl) 2-(1,3-dioxoisoindol-2-yl)propanoate

(2-oxo-2-piperidin-1-ylethyl) 2-(1,3-dioxoisoindol-2-yl)propanoate (PubChem CID 4306811) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) 2-(1,3-dioxoisoindol-2-yl)propanoate.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl) 2-(1,3-dioxoisoindol-2-yl)propanoate
PubChem CID4306811
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name(2-oxo-2-piperidin-1-ylethyl) 2-(1,3-dioxoisoindol-2-yl)propanoate
SMILESCC(C(=O)OCC(=O)N1CCCCC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H20N2O5/c1-12(18(24)25-11-15(21)19-9-5-2-6-10-19)20-16(22)13-7-3-4-8-14(13)17(20)23/h3-4,7-8,12H,2,5-6,9-11H2,1H3
InChIKeyQDEZMCUDSJGPDC-UHFFFAOYSA-N
XLogP1.23
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Phthalimidopropionic acid
CID 86884
Phthalimide, N-((morpholinocarbonyl)methyl)-
CID 95006
2-Phthalimidobutyrolactone
CID 2783926
2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanoic acid
CID 138417
Pht-Ala-OH
CID 720644
1H-Isoindole-1,3(2H)-dione, 2-(2-(acetyloxy)ethyl)-
CID 79597
Diethyl phthalimidomalonate
CID 79760
N-Phthaloyl-DL-glutamic anhydride
CID 92193
2-[2-(1-Methyl-piperidin-4-yl)-ethyl]-isoindole-1,3-dione
CID 15153354
2,2'-(Oxybis(ethane-2,1-diyl))bis(isoindoline-1,3-dione)
CID 247817
ST012869
CID 779502
N-Methylthalidomide
CID 101195

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 2-(1,3-dioxoisoindol-2-yl)propanoate?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 2-(1,3-dioxoisoindol-2-yl)propanoate (CID 4306811) is (2-oxo-2-piperidin-1-ylethyl) 2-(1,3-dioxoisoindol-2-yl)propanoate.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) 2-(1,3-dioxoisoindol-2-yl)propanoate?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) 2-(1,3-dioxoisoindol-2-yl)propanoate is CC(C(=O)OCC(=O)N1CCCCC1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) 2-(1,3-dioxoisoindol-2-yl)propanoate?
The InChIKey is QDEZMCUDSJGPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-12(18(24)25-11-15(21)19-9-5-2-6-10-19)20-16(22)13-7-3-4-8-14(13)17(20)23/h3-4,7-8,12H,2,5-6,9-11H2,1H3.
What are the key properties of (2-oxo-2-piperidin-1-ylethyl) 2-(1,3-dioxoisoindol-2-yl)propanoate?
(2-oxo-2-piperidin-1-ylethyl) 2-(1,3-dioxoisoindol-2-yl)propanoate has a molecular weight of 344.37 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-piperidin-1-ylethyl) 2-(1,3-dioxoisoindol-2-yl)propanoate is sourced from PubChem (CID 4306811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).