3-[2-[2,5-dioxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-(2-phenylpropyl)pyrrolidin-3-yl]-2-phenylethyl]-4-methyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione

C46H66N4O4 — CID 59059650

IUPAC3-[2-[2,5-dioxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-(2-phenylpropyl)pyrrolidin-3-yl]-2-phenylethyl]-4-methyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione
SMILESCC(CC1C(=O)N(C2CC(C)(C)N(C)C(C)(C)C2)C(=O)C1C(CC1C(=O)N(C2CC(C)(C)N(C)C(C)(C)C2)C(=O)C1C)c1ccccc1)c1ccccc1
InChIInChI=1S/C46H66N4O4/c1-29(31-19-15-13-16-20-31)23-37-38(42(54)50(41(37)53)34-27-45(7,8)48(12)46(9,10)28-34)36(32-21-17-14-18-22-32)24-35-30(2)39(51)49(40(35)52)33-25-43(3,4)47(11)44(5,6)26-33/h13-22,29-30,33-38H,23-28H2,1-12H3
InChIKeyNIFYWMAXZWLQHX-UHFFFAOYSA-N
MW739.06 g/mol
LogP7.88
Rot. Bonds9

About 3-[2-[2,5-dioxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-(2-phenylpropyl)pyrrolidin-3-yl]-2-phenylethyl]-4-methyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione

3-[2-[2,5-dioxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-(2-phenylpropyl)pyrrolidin-3-yl]-2-phenylethyl]-4-methyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione (PubChem CID 59059650) has the molecular formula C46H66N4O4 and a molecular weight of 739.06 g/mol. Its IUPAC name is 3-[2-[2,5-dioxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-(2-phenylpropyl)pyrrolidin-3-yl]-2-phenylethyl]-4-methyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[2-[2,5-dioxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-(2-phenylpropyl)pyrrolidin-3-yl]-2-phenylethyl]-4-methyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione
PubChem CID59059650
Molecular FormulaC46H66N4O4
Molecular Weight739.06 g/mol
Exact Mass738.51
IUPAC Name3-[2-[2,5-dioxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-(2-phenylpropyl)pyrrolidin-3-yl]-2-phenylethyl]-4-methyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione
SMILESCC(CC1C(=O)N(C2CC(C)(C)N(C)C(C)(C)C2)C(=O)C1C(CC1C(=O)N(C2CC(C)(C)N(C)C(C)(C)C2)C(=O)C1C)c1ccccc1)c1ccccc1
InChIInChI=1S/C46H66N4O4/c1-29(31-19-15-13-16-20-31)23-37-38(42(54)50(41(37)53)34-27-45(7,8)48(12)46(9,10)28-34)36(32-21-17-14-18-22-32)24-35-30(2)39(51)49(40(35)52)33-25-43(3,4)47(11)44(5,6)26-33/h13-22,29-30,33-38H,23-28H2,1-12H3
InChIKeyNIFYWMAXZWLQHX-UHFFFAOYSA-N
XLogP7.88
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.06
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[2-[2,5-dioxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-(2-phenylpropyl)pyrrolidin-3-yl]-2-phenylethyl]-4-methyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2,5-dioxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-(2-phenylpropyl)pyrrolidin-3-yl]-2-phenylethyl]-4-methyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3-[2-[2,5-dioxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-(2-phenylpropyl)pyrrolidin-3-yl]-2-phenylethyl]-4-methyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione (CID 59059650) is 3-[2-[2,5-dioxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-(2-phenylpropyl)pyrrolidin-3-yl]-2-phenylethyl]-4-methyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[2-[2,5-dioxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-(2-phenylpropyl)pyrrolidin-3-yl]-2-phenylethyl]-4-methyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[2-[2,5-dioxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-(2-phenylpropyl)pyrrolidin-3-yl]-2-phenylethyl]-4-methyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione is CC(CC1C(=O)N(C2CC(C)(C)N(C)C(C)(C)C2)C(=O)C1C(CC1C(=O)N(C2CC(C)(C)N(C)C(C)(C)C2)C(=O)C1C)c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[2-[2,5-dioxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-(2-phenylpropyl)pyrrolidin-3-yl]-2-phenylethyl]-4-methyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione?
The InChIKey is NIFYWMAXZWLQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H66N4O4/c1-29(31-19-15-13-16-20-31)23-37-38(42(54)50(41(37)53)34-27-45(7,8)48(12)46(9,10)28-34)36(32-21-17-14-18-22-32)24-35-30(2)39(51)49(40(35)52)33-25-43(3,4)47(11)44(5,6)26-33/h13-22,29-30,33-38H,23-28H2,1-12H3.
What are the key properties of 3-[2-[2,5-dioxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-(2-phenylpropyl)pyrrolidin-3-yl]-2-phenylethyl]-4-methyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione?
3-[2-[2,5-dioxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-(2-phenylpropyl)pyrrolidin-3-yl]-2-phenylethyl]-4-methyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione has a molecular weight of 739.06 g/mol, XLogP of 7.88, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2,5-dioxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)-4-(2-phenylpropyl)pyrrolidin-3-yl]-2-phenylethyl]-4-methyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 59059650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).