(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate

C26H28N2O5 — CID 4078169

IUPAC(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
SMILESCC1(C)CC(=O)CC(C)(C)N1OC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C26H28N2O5/c1-25(2)15-18(29)16-26(3,4)28(25)33-24(32)21(14-17-10-6-5-7-11-17)27-22(30)19-12-8-9-13-20(19)23(27)31/h5-13,21H,14-16H2,1-4H3
InChIKeyZRSPWXXFQAZAKY-UHFFFAOYSA-N
MW448.52 g/mol
LogP3.57
Rot. Bonds5

About (2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate

(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate (PubChem CID 4078169) has the molecular formula C26H28N2O5 and a molecular weight of 448.52 g/mol. Its IUPAC name is (2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate.

Molecular Properties

Compound Name(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
PubChem CID4078169
Molecular FormulaC26H28N2O5
Molecular Weight448.52 g/mol
Exact Mass448.20
IUPAC Name(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
SMILESCC1(C)CC(=O)CC(C)(C)N1OC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C26H28N2O5/c1-25(2)15-18(29)16-26(3,4)28(25)33-24(32)21(14-17-10-6-5-7-11-17)27-22(30)19-12-8-9-13-20(19)23(27)31/h5-13,21H,14-16H2,1-4H3
InChIKeyZRSPWXXFQAZAKY-UHFFFAOYSA-N
XLogP3.57
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 830179
2-oxopropyl (2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 22110471
[(3S)-3-(1,3-dioxoisoindol-2-yl)-2-oxo-4-phenylbutyl] (2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 23314933
2-(1,3-dioxoisoindol-2-yl)-N-methoxy-3-phenylpropanamide
CID 118343365
2-ethoxyethyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 24518121
cyclohexyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 7610467
(2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl chloride
CID 42325650
(2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 6919275
(4-methoxyphenyl)methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 8926973
(2-ethoxyphenyl) 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 4224844
2-(1-diethoxyphosphoryl-1-oxo-3-phenylpropan-2-yl)isoindole-1,3-dione
CID 14755430
(4-bromophenyl) (2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 1308345

Frequently Asked Questions

What is the IUPAC name of (2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate?
The IUPAC name of (2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate (CID 4078169) is (2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate.
What is the SMILES notation for (2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate?
The canonical SMILES for (2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate is CC1(C)CC(=O)CC(C)(C)N1OC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of (2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate?
The InChIKey is ZRSPWXXFQAZAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O5/c1-25(2)15-18(29)16-26(3,4)28(25)33-24(32)21(14-17-10-6-5-7-11-17)27-22(30)19-12-8-9-13-20(19)23(27)31/h5-13,21H,14-16H2,1-4H3.
What are the key properties of (2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate?
(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate has a molecular weight of 448.52 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate is sourced from PubChem (CID 4078169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).