3-methyl-3-[2-oxo-2-[4-(4-phenylphenyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione

C24H26N2O3 — CID 123588987

IUPAC3-methyl-3-[2-oxo-2-[4-(4-phenylphenyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESCC1(CC(=O)N2CCC(c3ccc(-c4ccccc4)cc3)CC2)CC(=O)NC1=O
InChIInChI=1S/C24H26N2O3/c1-24(15-21(27)25-23(24)29)16-22(28)26-13-11-20(12-14-26)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-10,20H,11-16H2,1H3,(H,25,27,29)
InChIKeyVSCWGTGRCZEOPE-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.50
Rot. Bonds4

About 3-methyl-3-[2-oxo-2-[4-(4-phenylphenyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione

3-methyl-3-[2-oxo-2-[4-(4-phenylphenyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione (PubChem CID 123588987) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 3-methyl-3-[2-oxo-2-[4-(4-phenylphenyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methyl-3-[2-oxo-2-[4-(4-phenylphenyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
PubChem CID123588987
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name3-methyl-3-[2-oxo-2-[4-(4-phenylphenyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESCC1(CC(=O)N2CCC(c3ccc(-c4ccccc4)cc3)CC2)CC(=O)NC1=O
InChIInChI=1S/C24H26N2O3/c1-24(15-21(27)25-23(24)29)16-22(28)26-13-11-20(12-14-26)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-10,20H,11-16H2,1H3,(H,25,27,29)
InChIKeyVSCWGTGRCZEOPE-UHFFFAOYSA-N
XLogP3.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.50
H-Bond Donors ≤ 51
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-methyl-3-[2-oxo-2-[4-(4-phenylphenyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-methyl-3-[2-oxo-2-[4-(4-phenylphenyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione (CID 123588987) is 3-methyl-3-[2-oxo-2-[4-(4-phenylphenyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-methyl-3-[2-oxo-2-[4-(4-phenylphenyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-methyl-3-[2-oxo-2-[4-(4-phenylphenyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione is CC1(CC(=O)N2CCC(c3ccc(-c4ccccc4)cc3)CC2)CC(=O)NC1=O.
What is the InChIKey of 3-methyl-3-[2-oxo-2-[4-(4-phenylphenyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione?
The InChIKey is VSCWGTGRCZEOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-24(15-21(27)25-23(24)29)16-22(28)26-13-11-20(12-14-26)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-10,20H,11-16H2,1H3,(H,25,27,29).
What are the key properties of 3-methyl-3-[2-oxo-2-[4-(4-phenylphenyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione?
3-methyl-3-[2-oxo-2-[4-(4-phenylphenyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione has a molecular weight of 390.48 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[2-oxo-2-[4-(4-phenylphenyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 123588987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).