3-(2-ethoxybenzoyl)-6-phenylpiperidine-2,4-dione

C20H19NO4 — CID 19898241

IUPAC3-(2-ethoxybenzoyl)-6-phenylpiperidine-2,4-dione
SMILESCCOc1ccccc1C(=O)C1C(=O)CC(c2ccccc2)NC1=O
InChIInChI=1S/C20H19NO4/c1-2-25-17-11-7-6-10-14(17)19(23)18-16(22)12-15(21-20(18)24)13-8-4-3-5-9-13/h3-11,15,18H,2,12H2,1H3,(H,21,24)
InChIKeyIGUXPQWJPDXQAW-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.71
Rot. Bonds5

About 3-(2-ethoxybenzoyl)-6-phenylpiperidine-2,4-dione

3-(2-ethoxybenzoyl)-6-phenylpiperidine-2,4-dione (PubChem CID 19898241) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-(2-ethoxybenzoyl)-6-phenylpiperidine-2,4-dione.

Molecular Properties

Compound Name3-(2-ethoxybenzoyl)-6-phenylpiperidine-2,4-dione
PubChem CID19898241
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name3-(2-ethoxybenzoyl)-6-phenylpiperidine-2,4-dione
SMILESCCOc1ccccc1C(=O)C1C(=O)CC(c2ccccc2)NC1=O
InChIInChI=1S/C20H19NO4/c1-2-25-17-11-7-6-10-14(17)19(23)18-16(22)12-15(21-20(18)24)13-8-4-3-5-9-13/h3-11,15,18H,2,12H2,1H3,(H,21,24)
InChIKeyIGUXPQWJPDXQAW-UHFFFAOYSA-N
XLogP2.71
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxybenzoyl)-6-phenylpiperidine-2,4-dione?
The IUPAC name of 3-(2-ethoxybenzoyl)-6-phenylpiperidine-2,4-dione (CID 19898241) is 3-(2-ethoxybenzoyl)-6-phenylpiperidine-2,4-dione.
What is the SMILES notation for 3-(2-ethoxybenzoyl)-6-phenylpiperidine-2,4-dione?
The canonical SMILES for 3-(2-ethoxybenzoyl)-6-phenylpiperidine-2,4-dione is CCOc1ccccc1C(=O)C1C(=O)CC(c2ccccc2)NC1=O.
What is the InChIKey of 3-(2-ethoxybenzoyl)-6-phenylpiperidine-2,4-dione?
The InChIKey is IGUXPQWJPDXQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-2-25-17-11-7-6-10-14(17)19(23)18-16(22)12-15(21-20(18)24)13-8-4-3-5-9-13/h3-11,15,18H,2,12H2,1H3,(H,21,24).
What are the key properties of 3-(2-ethoxybenzoyl)-6-phenylpiperidine-2,4-dione?
3-(2-ethoxybenzoyl)-6-phenylpiperidine-2,4-dione has a molecular weight of 337.38 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxybenzoyl)-6-phenylpiperidine-2,4-dione is sourced from PubChem (CID 19898241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).