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

C14H15FN2O3 — CID 66062553

IUPAC4-[3-(4-fluorophenyl)-3-oxopropyl]-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H15FN2O3/c1-9-14(20)16-13(19)8-17(9)7-6-12(18)10-2-4-11(15)5-3-10/h2-5,9H,6-8H2,1H3,(H,16,19,20)
InChIKeyRYKJWXDLNLWILC-UHFFFAOYSA-N
MW278.28 g/mol
LogP0.75
Rot. Bonds4

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

4-[3-(4-fluorophenyl)-3-oxopropyl]-3-methylpiperazine-2,6-dione (PubChem CID 66062553) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-3-oxopropyl]-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-3-oxopropyl]-3-methylpiperazine-2,6-dione
PubChem CID66062553
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Name4-[3-(4-fluorophenyl)-3-oxopropyl]-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H15FN2O3/c1-9-14(20)16-13(19)8-17(9)7-6-12(18)10-2-4-11(15)5-3-10/h2-5,9H,6-8H2,1H3,(H,16,19,20)
InChIKeyRYKJWXDLNLWILC-UHFFFAOYSA-N
XLogP0.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 50.75
H-Bond Donors ≤ 51
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 4-[3-(4-fluorophenyl)-3-oxopropyl]-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-[3-(4-fluorophenyl)-3-oxopropyl]-3-methylpiperazine-2,6-dione (CID 66062553) is 4-[3-(4-fluorophenyl)-3-oxopropyl]-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-3-oxopropyl]-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-[3-(4-fluorophenyl)-3-oxopropyl]-3-methylpiperazine-2,6-dione is CC1C(=O)NC(=O)CN1CCC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-3-oxopropyl]-3-methylpiperazine-2,6-dione?
The InChIKey is RYKJWXDLNLWILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-9-14(20)16-13(19)8-17(9)7-6-12(18)10-2-4-11(15)5-3-10/h2-5,9H,6-8H2,1H3,(H,16,19,20).
What are the key properties of 4-[3-(4-fluorophenyl)-3-oxopropyl]-3-methylpiperazine-2,6-dione?
4-[3-(4-fluorophenyl)-3-oxopropyl]-3-methylpiperazine-2,6-dione has a molecular weight of 278.28 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-3-oxopropyl]-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 66062553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).