1-[3-(4-fluorophenyl)-2-oxopropyl]-4-methylpiperidine-2,6-dione

C15H16FNO3 — CID 79507232

IUPAC1-[3-(4-fluorophenyl)-2-oxopropyl]-4-methylpiperidine-2,6-dione
SMILESCC1CC(=O)N(CC(=O)Cc2ccc(F)cc2)C(=O)C1
InChIInChI=1S/C15H16FNO3/c1-10-6-14(19)17(15(20)7-10)9-13(18)8-11-2-4-12(16)5-3-11/h2-5,10H,6-9H2,1H3
InChIKeyOBRUKVTVOXRAOW-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.72
Rot. Bonds4

About 1-[3-(4-fluorophenyl)-2-oxopropyl]-4-methylpiperidine-2,6-dione

1-[3-(4-fluorophenyl)-2-oxopropyl]-4-methylpiperidine-2,6-dione (PubChem CID 79507232) has the molecular formula C15H16FNO3 and a molecular weight of 277.30 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-2-oxopropyl]-4-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-2-oxopropyl]-4-methylpiperidine-2,6-dione
PubChem CID79507232
Molecular FormulaC15H16FNO3
Molecular Weight277.30 g/mol
Exact Mass277.11
IUPAC Name1-[3-(4-fluorophenyl)-2-oxopropyl]-4-methylpiperidine-2,6-dione
SMILESCC1CC(=O)N(CC(=O)Cc2ccc(F)cc2)C(=O)C1
InChIInChI=1S/C15H16FNO3/c1-10-6-14(19)17(15(20)7-10)9-13(18)8-11-2-4-12(16)5-3-11/h2-5,10H,6-9H2,1H3
InChIKeyOBRUKVTVOXRAOW-UHFFFAOYSA-N
XLogP1.72
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.72
H-Bond Donors ≤ 50
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 1-[3-(4-fluorophenyl)-2-oxopropyl]-4-methylpiperidine-2,6-dione?
The IUPAC name of 1-[3-(4-fluorophenyl)-2-oxopropyl]-4-methylpiperidine-2,6-dione (CID 79507232) is 1-[3-(4-fluorophenyl)-2-oxopropyl]-4-methylpiperidine-2,6-dione.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-2-oxopropyl]-4-methylpiperidine-2,6-dione?
The canonical SMILES for 1-[3-(4-fluorophenyl)-2-oxopropyl]-4-methylpiperidine-2,6-dione is CC1CC(=O)N(CC(=O)Cc2ccc(F)cc2)C(=O)C1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-2-oxopropyl]-4-methylpiperidine-2,6-dione?
The InChIKey is OBRUKVTVOXRAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3/c1-10-6-14(19)17(15(20)7-10)9-13(18)8-11-2-4-12(16)5-3-11/h2-5,10H,6-9H2,1H3.
What are the key properties of 1-[3-(4-fluorophenyl)-2-oxopropyl]-4-methylpiperidine-2,6-dione?
1-[3-(4-fluorophenyl)-2-oxopropyl]-4-methylpiperidine-2,6-dione has a molecular weight of 277.30 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-2-oxopropyl]-4-methylpiperidine-2,6-dione is sourced from PubChem (CID 79507232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).