3-[[4-(2-propan-2-ylpiperidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione

C20H26N2O3 — CID 71984166

IUPAC3-[[4-(2-propan-2-ylpiperidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione
SMILESCC(C)C1CCCCN1C(=O)c1ccc(CC2CC(=O)NC2=O)cc1
InChIInChI=1S/C20H26N2O3/c1-13(2)17-5-3-4-10-22(17)20(25)15-8-6-14(7-9-15)11-16-12-18(23)21-19(16)24/h6-9,13,16-17H,3-5,10-12H2,1-2H3,(H,21,23,24)
InChIKeyCYUJROBADFTTJI-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.54
Rot. Bonds4

About 3-[[4-(2-propan-2-ylpiperidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione

3-[[4-(2-propan-2-ylpiperidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione (PubChem CID 71984166) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-[[4-(2-propan-2-ylpiperidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[[4-(2-propan-2-ylpiperidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione
PubChem CID71984166
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name3-[[4-(2-propan-2-ylpiperidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione
SMILESCC(C)C1CCCCN1C(=O)c1ccc(CC2CC(=O)NC2=O)cc1
InChIInChI=1S/C20H26N2O3/c1-13(2)17-5-3-4-10-22(17)20(25)15-8-6-14(7-9-15)11-16-12-18(23)21-19(16)24/h6-9,13,16-17H,3-5,10-12H2,1-2H3,(H,21,23,24)
InChIKeyCYUJROBADFTTJI-UHFFFAOYSA-N
XLogP2.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.54
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-[[4-(2-propan-2-ylpiperidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-[[4-(2-propan-2-ylpiperidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione (CID 71984166) is 3-[[4-(2-propan-2-ylpiperidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[[4-(2-propan-2-ylpiperidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[[4-(2-propan-2-ylpiperidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione is CC(C)C1CCCCN1C(=O)c1ccc(CC2CC(=O)NC2=O)cc1.
What is the InChIKey of 3-[[4-(2-propan-2-ylpiperidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione?
The InChIKey is CYUJROBADFTTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-13(2)17-5-3-4-10-22(17)20(25)15-8-6-14(7-9-15)11-16-12-18(23)21-19(16)24/h6-9,13,16-17H,3-5,10-12H2,1-2H3,(H,21,23,24).
What are the key properties of 3-[[4-(2-propan-2-ylpiperidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione?
3-[[4-(2-propan-2-ylpiperidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione has a molecular weight of 342.44 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-propan-2-ylpiperidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 71984166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).