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

C17H18N2O5 — CID 2371996

IUPAC(2-oxo-2-piperidin-1-ylethyl) 2-(1,3-dioxoisoindol-2-yl)acetate
SMILESO=C(CN1C(=O)c2ccccc2C1=O)OCC(=O)N1CCCCC1
InChIInChI=1S/C17H18N2O5/c20-14(18-8-4-1-5-9-18)11-24-15(21)10-19-16(22)12-6-2-3-7-13(12)17(19)23/h2-3,6-7H,1,4-5,8-11H2
InChIKeyQYOWFJPQDWMQOV-UHFFFAOYSA-N
MW330.34 g/mol
LogP0.84
Rot. Bonds4

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

(2-oxo-2-piperidin-1-ylethyl) 2-(1,3-dioxoisoindol-2-yl)acetate (PubChem CID 2371996) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) 2-(1,3-dioxoisoindol-2-yl)acetate.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl) 2-(1,3-dioxoisoindol-2-yl)acetate
PubChem CID2371996
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Name(2-oxo-2-piperidin-1-ylethyl) 2-(1,3-dioxoisoindol-2-yl)acetate
SMILESO=C(CN1C(=O)c2ccccc2C1=O)OCC(=O)N1CCCCC1
InChIInChI=1S/C17H18N2O5/c20-14(18-8-4-1-5-9-18)11-24-15(21)10-19-16(22)12-6-2-3-7-13(12)17(19)23/h2-3,6-7H,1,4-5,8-11H2
InChIKeyQYOWFJPQDWMQOV-UHFFFAOYSA-N
XLogP0.84
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 50.84
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

N-Phthaloylglycine
CID 20825
2-Phthalimidobutyrolactone
CID 2783926
Phthalimide, N-((morpholinocarbonyl)methyl)-
CID 95006
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
2-[2-(1-Piperidinyl)ethyl]-1H-isoindole-1,3(2H)-dione
CID 651476
ST012869
CID 779502
Propyl 2-(1,3-dioxoisoindolin-2-yl)acetate
CID 648307
2-(Morpholin-4-ylmethyl)isoindole-1,3-dione
CID 230343

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 2-(1,3-dioxoisoindol-2-yl)acetate?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 2-(1,3-dioxoisoindol-2-yl)acetate (CID 2371996) is (2-oxo-2-piperidin-1-ylethyl) 2-(1,3-dioxoisoindol-2-yl)acetate.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) 2-(1,3-dioxoisoindol-2-yl)acetate?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) 2-(1,3-dioxoisoindol-2-yl)acetate is O=C(CN1C(=O)c2ccccc2C1=O)OCC(=O)N1CCCCC1.
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) 2-(1,3-dioxoisoindol-2-yl)acetate?
The InChIKey is QYOWFJPQDWMQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c20-14(18-8-4-1-5-9-18)11-24-15(21)10-19-16(22)12-6-2-3-7-13(12)17(19)23/h2-3,6-7H,1,4-5,8-11H2.
What are the key properties of (2-oxo-2-piperidin-1-ylethyl) 2-(1,3-dioxoisoindol-2-yl)acetate?
(2-oxo-2-piperidin-1-ylethyl) 2-(1,3-dioxoisoindol-2-yl)acetate has a molecular weight of 330.34 g/mol, XLogP of 0.84, 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)acetate is sourced from PubChem (CID 2371996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).