5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione

C16H20N4O3 — CID 42909982

IUPAC5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCC(=O)N2CCN(c3ccccc3)CC2)N1
InChIInChI=1S/C16H20N4O3/c21-14(7-6-13-15(22)18-16(23)17-13)20-10-8-19(9-11-20)12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H2,17,18,22,23)
InChIKeyGYKPTYVBUHPMNZ-UHFFFAOYSA-N
MW316.36 g/mol
LogP0.32
Rot. Bonds4

About 5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione

5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione (PubChem CID 42909982) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
PubChem CID42909982
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCC(=O)N2CCN(c3ccccc3)CC2)N1
InChIInChI=1S/C16H20N4O3/c21-14(7-6-13-15(22)18-16(23)17-13)20-10-8-19(9-11-20)12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H2,17,18,22,23)
InChIKeyGYKPTYVBUHPMNZ-UHFFFAOYSA-N
XLogP0.32
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.32
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-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione (CID 42909982) is 5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione is O=C1NC(=O)C(CCC(=O)N2CCN(c3ccccc3)CC2)N1.
What is the InChIKey of 5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione?
The InChIKey is GYKPTYVBUHPMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c21-14(7-6-13-15(22)18-16(23)17-13)20-10-8-19(9-11-20)12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H2,17,18,22,23).
What are the key properties of 5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione?
5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione has a molecular weight of 316.36 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 42909982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).