3-(4-benzylpiperidin-1-yl)-1-(2,2-diphenylethyl)pyrrolidine-2,5-dione

C30H32N2O2 — CID 4228098

IUPAC3-(4-benzylpiperidin-1-yl)-1-(2,2-diphenylethyl)pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCC(Cc3ccccc3)CC2)C(=O)N1CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H32N2O2/c33-29-21-28(31-18-16-24(17-19-31)20-23-10-4-1-5-11-23)30(34)32(29)22-27(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,24,27-28H,16-22H2
InChIKeyUTBWRNDPDWQQFY-UHFFFAOYSA-N
MW452.60 g/mol
LogP4.90
Rot. Bonds7

About 3-(4-benzylpiperidin-1-yl)-1-(2,2-diphenylethyl)pyrrolidine-2,5-dione

3-(4-benzylpiperidin-1-yl)-1-(2,2-diphenylethyl)pyrrolidine-2,5-dione (PubChem CID 4228098) has the molecular formula C30H32N2O2 and a molecular weight of 452.60 g/mol. Its IUPAC name is 3-(4-benzylpiperidin-1-yl)-1-(2,2-diphenylethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-benzylpiperidin-1-yl)-1-(2,2-diphenylethyl)pyrrolidine-2,5-dione
PubChem CID4228098
Molecular FormulaC30H32N2O2
Molecular Weight452.60 g/mol
Exact Mass452.25
IUPAC Name3-(4-benzylpiperidin-1-yl)-1-(2,2-diphenylethyl)pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCC(Cc3ccccc3)CC2)C(=O)N1CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H32N2O2/c33-29-21-28(31-18-16-24(17-19-31)20-23-10-4-1-5-11-23)30(34)32(29)22-27(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,24,27-28H,16-22H2
InChIKeyUTBWRNDPDWQQFY-UHFFFAOYSA-N
XLogP4.90
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.60
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperidin-1-yl)-1-(2,2-diphenylethyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(4-benzylpiperidin-1-yl)-1-(2,2-diphenylethyl)pyrrolidine-2,5-dione (CID 4228098) is 3-(4-benzylpiperidin-1-yl)-1-(2,2-diphenylethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-benzylpiperidin-1-yl)-1-(2,2-diphenylethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-benzylpiperidin-1-yl)-1-(2,2-diphenylethyl)pyrrolidine-2,5-dione is O=C1CC(N2CCC(Cc3ccccc3)CC2)C(=O)N1CC(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(4-benzylpiperidin-1-yl)-1-(2,2-diphenylethyl)pyrrolidine-2,5-dione?
The InChIKey is UTBWRNDPDWQQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O2/c33-29-21-28(31-18-16-24(17-19-31)20-23-10-4-1-5-11-23)30(34)32(29)22-27(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,24,27-28H,16-22H2.
What are the key properties of 3-(4-benzylpiperidin-1-yl)-1-(2,2-diphenylethyl)pyrrolidine-2,5-dione?
3-(4-benzylpiperidin-1-yl)-1-(2,2-diphenylethyl)pyrrolidine-2,5-dione has a molecular weight of 452.60 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperidin-1-yl)-1-(2,2-diphenylethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 4228098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).