4-(4-methylphenyl)-1-(2-phenylethyl)piperidine-2,6-dione

C20H21NO2 — CID 46298395

IUPAC4-(4-methylphenyl)-1-(2-phenylethyl)piperidine-2,6-dione
SMILESCc1ccc(C2CC(=O)N(CCc3ccccc3)C(=O)C2)cc1
InChIInChI=1S/C20H21NO2/c1-15-7-9-17(10-8-15)18-13-19(22)21(20(23)14-18)12-11-16-5-3-2-4-6-16/h2-10,18H,11-14H2,1H3
InChIKeyCNFJSRBEKNFGLI-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.47
Rot. Bonds4

About 4-(4-methylphenyl)-1-(2-phenylethyl)piperidine-2,6-dione

4-(4-methylphenyl)-1-(2-phenylethyl)piperidine-2,6-dione (PubChem CID 46298395) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 4-(4-methylphenyl)-1-(2-phenylethyl)piperidine-2,6-dione.

Molecular Properties

Compound Name4-(4-methylphenyl)-1-(2-phenylethyl)piperidine-2,6-dione
PubChem CID46298395
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name4-(4-methylphenyl)-1-(2-phenylethyl)piperidine-2,6-dione
SMILESCc1ccc(C2CC(=O)N(CCc3ccccc3)C(=O)C2)cc1
InChIInChI=1S/C20H21NO2/c1-15-7-9-17(10-8-15)18-13-19(22)21(20(23)14-18)12-11-16-5-3-2-4-6-16/h2-10,18H,11-14H2,1H3
InChIKeyCNFJSRBEKNFGLI-UHFFFAOYSA-N
XLogP3.47
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-1-(2-phenylethyl)piperidine-2,6-dione?
The IUPAC name of 4-(4-methylphenyl)-1-(2-phenylethyl)piperidine-2,6-dione (CID 46298395) is 4-(4-methylphenyl)-1-(2-phenylethyl)piperidine-2,6-dione.
What is the SMILES notation for 4-(4-methylphenyl)-1-(2-phenylethyl)piperidine-2,6-dione?
The canonical SMILES for 4-(4-methylphenyl)-1-(2-phenylethyl)piperidine-2,6-dione is Cc1ccc(C2CC(=O)N(CCc3ccccc3)C(=O)C2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-1-(2-phenylethyl)piperidine-2,6-dione?
The InChIKey is CNFJSRBEKNFGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-15-7-9-17(10-8-15)18-13-19(22)21(20(23)14-18)12-11-16-5-3-2-4-6-16/h2-10,18H,11-14H2,1H3.
What are the key properties of 4-(4-methylphenyl)-1-(2-phenylethyl)piperidine-2,6-dione?
4-(4-methylphenyl)-1-(2-phenylethyl)piperidine-2,6-dione has a molecular weight of 307.39 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-1-(2-phenylethyl)piperidine-2,6-dione is sourced from PubChem (CID 46298395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).