5-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione

C16H19FN4O3 — CID 164625513

IUPAC5-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)N1
InChIInChI=1S/C16H19FN4O3/c17-11-1-3-12(4-2-11)20-7-9-21(10-8-20)14(22)6-5-13-15(23)19-16(24)18-13/h1-4,13H,5-10H2,(H2,18,19,23,24)
InChIKeyDBRBOGNUVFIBBN-UHFFFAOYSA-N
MW334.35 g/mol
LogP0.46
Rot. Bonds4

About 5-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione

5-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 164625513) has the molecular formula C16H19FN4O3 and a molecular weight of 334.35 g/mol. Its IUPAC name is 5-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
PubChem CID164625513
Molecular FormulaC16H19FN4O3
Molecular Weight334.35 g/mol
Exact Mass334.14
IUPAC Name5-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)N1
InChIInChI=1S/C16H19FN4O3/c17-11-1-3-12(4-2-11)20-7-9-21(10-8-20)14(22)6-5-13-15(23)19-16(24)18-13/h1-4,13H,5-10H2,(H2,18,19,23,24)
InChIKeyDBRBOGNUVFIBBN-UHFFFAOYSA-N
XLogP0.46
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (CID 164625513) is 5-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is O=C1NC(=O)C(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)N1.
What is the InChIKey of 5-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The InChIKey is DBRBOGNUVFIBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O3/c17-11-1-3-12(4-2-11)20-7-9-21(10-8-20)14(22)6-5-13-15(23)19-16(24)18-13/h1-4,13H,5-10H2,(H2,18,19,23,24).
What are the key properties of 5-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
5-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione has a molecular weight of 334.35 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 164625513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).