1-(5-methyl-2-phenacyloxyphenyl)piperidine-2,6-dione

C20H19NO4 — CID 3158837

IUPAC1-(5-methyl-2-phenacyloxyphenyl)piperidine-2,6-dione
SMILESCc1ccc(OCC(=O)c2ccccc2)c(N2C(=O)CCCC2=O)c1
InChIInChI=1S/C20H19NO4/c1-14-10-11-18(25-13-17(22)15-6-3-2-4-7-15)16(12-14)21-19(23)8-5-9-20(21)24/h2-4,6-7,10-12H,5,8-9,13H2,1H3
InChIKeyUDFLACCLDMFRQI-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.30
Rot. Bonds5

About 1-(5-methyl-2-phenacyloxyphenyl)piperidine-2,6-dione

1-(5-methyl-2-phenacyloxyphenyl)piperidine-2,6-dione (PubChem CID 3158837) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-(5-methyl-2-phenacyloxyphenyl)piperidine-2,6-dione.

Molecular Properties

Compound Name1-(5-methyl-2-phenacyloxyphenyl)piperidine-2,6-dione
PubChem CID3158837
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name1-(5-methyl-2-phenacyloxyphenyl)piperidine-2,6-dione
SMILESCc1ccc(OCC(=O)c2ccccc2)c(N2C(=O)CCCC2=O)c1
InChIInChI=1S/C20H19NO4/c1-14-10-11-18(25-13-17(22)15-6-3-2-4-7-15)16(12-14)21-19(23)8-5-9-20(21)24/h2-4,6-7,10-12H,5,8-9,13H2,1H3
InChIKeyUDFLACCLDMFRQI-UHFFFAOYSA-N
XLogP3.30
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-phenacyloxyphenyl)piperidine-2,6-dione?
The IUPAC name of 1-(5-methyl-2-phenacyloxyphenyl)piperidine-2,6-dione (CID 3158837) is 1-(5-methyl-2-phenacyloxyphenyl)piperidine-2,6-dione.
What is the SMILES notation for 1-(5-methyl-2-phenacyloxyphenyl)piperidine-2,6-dione?
The canonical SMILES for 1-(5-methyl-2-phenacyloxyphenyl)piperidine-2,6-dione is Cc1ccc(OCC(=O)c2ccccc2)c(N2C(=O)CCCC2=O)c1.
What is the InChIKey of 1-(5-methyl-2-phenacyloxyphenyl)piperidine-2,6-dione?
The InChIKey is UDFLACCLDMFRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-14-10-11-18(25-13-17(22)15-6-3-2-4-7-15)16(12-14)21-19(23)8-5-9-20(21)24/h2-4,6-7,10-12H,5,8-9,13H2,1H3.
What are the key properties of 1-(5-methyl-2-phenacyloxyphenyl)piperidine-2,6-dione?
1-(5-methyl-2-phenacyloxyphenyl)piperidine-2,6-dione has a molecular weight of 337.38 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-phenacyloxyphenyl)piperidine-2,6-dione is sourced from PubChem (CID 3158837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).