[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate

C19H22N2O5 — CID 3285210

IUPAC[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
SMILESCC1CCCC(C)N1C(=O)COC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H22N2O5/c1-12-6-5-7-13(2)21(12)16(22)11-26-17(23)10-20-18(24)14-8-3-4-9-15(14)19(20)25/h3-4,8-9,12-13H,5-7,10-11H2,1-2H3
InChIKeyMCZDSTGVAJQERO-UHFFFAOYSA-N
MW358.39 g/mol
LogP1.62
Rot. Bonds4

About [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate

[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate (PubChem CID 3285210) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate.

Molecular Properties

Compound Name[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
PubChem CID3285210
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
SMILESCC1CCCC(C)N1C(=O)COC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H22N2O5/c1-12-6-5-7-13(2)21(12)16(22)11-26-17(23)10-20-18(24)14-8-3-4-9-15(14)19(20)25/h3-4,8-9,12-13H,5-7,10-11H2,1-2H3
InChIKeyMCZDSTGVAJQERO-UHFFFAOYSA-N
XLogP1.62
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
The IUPAC name of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate (CID 3285210) is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate.
What is the SMILES notation for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
The canonical SMILES for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate is CC1CCCC(C)N1C(=O)COC(=O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
The InChIKey is MCZDSTGVAJQERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-12-6-5-7-13(2)21(12)16(22)11-26-17(23)10-20-18(24)14-8-3-4-9-15(14)19(20)25/h3-4,8-9,12-13H,5-7,10-11H2,1-2H3.
What are the key properties of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate has a molecular weight of 358.39 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate is sourced from PubChem (CID 3285210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).