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

C15H18N4O3 — CID 110109127

IUPAC3-[2-oxo-2-(2-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CC(=O)N1CCNCC1c1ccccc1
InChIInChI=1S/C15H18N4O3/c20-13-9-17-15(22)19(13)10-14(21)18-7-6-16-8-12(18)11-4-2-1-3-5-11/h1-5,12,16H,6-10H2,(H,17,22)
InChIKeyMOLGVEBQALBHDJ-UHFFFAOYSA-N
MW302.33 g/mol
LogP-0.29
Rot. Bonds3

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

3-[2-oxo-2-(2-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione (PubChem CID 110109127) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 3-[2-oxo-2-(2-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-oxo-2-(2-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione
PubChem CID110109127
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name3-[2-oxo-2-(2-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CC(=O)N1CCNCC1c1ccccc1
InChIInChI=1S/C15H18N4O3/c20-13-9-17-15(22)19(13)10-14(21)18-7-6-16-8-12(18)11-4-2-1-3-5-11/h1-5,12,16H,6-10H2,(H,17,22)
InChIKeyMOLGVEBQALBHDJ-UHFFFAOYSA-N
XLogP-0.29
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 110109396
1-(2-phenylpiperazin-1-yl)propan-1-one
CID 73440047
4-oxo-4-(2-phenylpiperazin-1-yl)butanoic acid
CID 110481821
1-(2-phenylpiperazin-1-yl)butane-1,3-dione
CID 110477449
2-phenoxy-1-(2-phenylpiperazin-1-yl)ethanone
CID 82251696
2-phenylpiperazine-1-carbonyl chloride
CID 154387784
3-[2-[(3S)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 124988091
1-[(2R)-2-phenylpiperazin-1-yl]-2-thiophen-3-ylethanone
CID 125022040
3-[2-oxo-2-[(2R,3R,6R)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]ethyl]imidazolidine-2,4-dione
CID 56872036
2-(4-methoxyphenyl)-1-(2-phenylpiperazin-1-yl)ethanone
CID 110109133
morpholin-4-yl-(2-phenylpiperazin-1-yl)methanone
CID 128846745
2,2-dimethyl-1-(2-phenylpiperazin-1-yl)butan-1-one
CID 121446464

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-(2-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-oxo-2-(2-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione (CID 110109127) is 3-[2-oxo-2-(2-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-oxo-2-(2-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-oxo-2-(2-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione is O=C1CNC(=O)N1CC(=O)N1CCNCC1c1ccccc1.
What is the InChIKey of 3-[2-oxo-2-(2-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione?
The InChIKey is MOLGVEBQALBHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c20-13-9-17-15(22)19(13)10-14(21)18-7-6-16-8-12(18)11-4-2-1-3-5-11/h1-5,12,16H,6-10H2,(H,17,22).
What are the key properties of 3-[2-oxo-2-(2-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione?
3-[2-oxo-2-(2-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione has a molecular weight of 302.33 g/mol, XLogP of -0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-(2-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 110109127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).