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

C15H16N4O4 — CID 70776360

IUPAC3-[2-oxo-2-(3-oxo-4-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione
SMILESO=C(CN1C(=O)CNC1=O)N1CCN(c2ccccc2)C(=O)C1
InChIInChI=1S/C15H16N4O4/c20-12-8-16-15(23)19(12)10-13(21)17-6-7-18(14(22)9-17)11-4-2-1-3-5-11/h1-5H,6-10H2,(H,16,23)
InChIKeySEWIYVMGSNHWTJ-UHFFFAOYSA-N
MW316.32 g/mol
LogP-0.59
Rot. Bonds3

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

3-[2-oxo-2-(3-oxo-4-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione (PubChem CID 70776360) has the molecular formula C15H16N4O4 and a molecular weight of 316.32 g/mol. Its IUPAC name is 3-[2-oxo-2-(3-oxo-4-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-oxo-2-(3-oxo-4-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione
PubChem CID70776360
Molecular FormulaC15H16N4O4
Molecular Weight316.32 g/mol
Exact Mass316.12
IUPAC Name3-[2-oxo-2-(3-oxo-4-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione
SMILESO=C(CN1C(=O)CNC1=O)N1CCN(c2ccccc2)C(=O)C1
InChIInChI=1S/C15H16N4O4/c20-12-8-16-15(23)19(12)10-13(21)17-6-7-18(14(22)9-17)11-4-2-1-3-5-11/h1-5H,6-10H2,(H,16,23)
InChIKeySEWIYVMGSNHWTJ-UHFFFAOYSA-N
XLogP-0.59
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[(3S)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 124988091
3-[2-(3-hydroxy-3-phenylpyrrolidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 90653397
3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 60634910
4-[2-(4-chlorophenoxy)acetyl]-1-phenylpiperazin-2-one
CID 70710000
3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione
CID 60624274
4-[2-(3-chlorophenyl)acetyl]-1-phenylpiperazin-2-one
CID 110708429
4-(2-ethylbutanoyl)-1-phenylpiperazin-2-one
CID 70710183
3-[2-[(2R)-4-(4-chlorophenyl)-2-methyl-5-oxopiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 96579942
4-[2-(3-methoxyphenyl)acetyl]-1-phenylpiperazin-2-one
CID 110708431
1-phenyl-4-[(4R)-4-piperidin-1-ylpentanoyl]piperazin-2-one
CID 96578207
3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-1-phenylimidazolidine-2,4-dione
CID 136577810
(3S)-4-(3-methylbut-2-enyl)-3-[2-oxo-2-(3-oxo-4-phenylpiperazin-1-yl)ethyl]piperazin-2-one
CID 95709133

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-(3-oxo-4-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-oxo-2-(3-oxo-4-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione (CID 70776360) is 3-[2-oxo-2-(3-oxo-4-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-oxo-2-(3-oxo-4-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-oxo-2-(3-oxo-4-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione is O=C(CN1C(=O)CNC1=O)N1CCN(c2ccccc2)C(=O)C1.
What is the InChIKey of 3-[2-oxo-2-(3-oxo-4-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione?
The InChIKey is SEWIYVMGSNHWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4/c20-12-8-16-15(23)19(12)10-13(21)17-6-7-18(14(22)9-17)11-4-2-1-3-5-11/h1-5H,6-10H2,(H,16,23).
What are the key properties of 3-[2-oxo-2-(3-oxo-4-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione?
3-[2-oxo-2-(3-oxo-4-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione has a molecular weight of 316.32 g/mol, XLogP of -0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-(3-oxo-4-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 70776360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).