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

C16H20N4O3 — CID 112778988

IUPAC1-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione
SMILESCN1CC(=O)N(CC(=O)N2CCN(c3ccccc3)CC2)C1=O
InChIInChI=1S/C16H20N4O3/c1-17-11-15(22)20(16(17)23)12-14(21)19-9-7-18(8-10-19)13-5-3-2-4-6-13/h2-6H,7-12H2,1H3
InChIKeyBSKCIRDWIDEFAF-UHFFFAOYSA-N
MW316.36 g/mol
LogP0.23
Rot. Bonds3

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

1-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione (PubChem CID 112778988) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione
PubChem CID112778988
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name1-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione
SMILESCN1CC(=O)N(CC(=O)N2CCN(c3ccccc3)CC2)C1=O
InChIInChI=1S/C16H20N4O3/c1-17-11-15(22)20(16(17)23)12-14(21)19-9-7-18(8-10-19)13-5-3-2-4-6-13/h2-6H,7-12H2,1H3
InChIKeyBSKCIRDWIDEFAF-UHFFFAOYSA-N
XLogP0.23
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3H-1,4-benzodiazepine-2,5-dione
CID 46365504
1-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 60644567
1-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7494626
2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-4H-isoquinoline-1,3-dione
CID 9032718
3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-1-phenylimidazolidine-2,4-dione
CID 136577810
3,3-dimethyl-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]indol-2-one
CID 58834365
3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1-phenylimidazolidine-2,4-dione
CID 60519605
1-(4-phenylpiperazin-1-yl)pentane-1,4-dione
CID 60636215
(2S)-2-methyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,4-benzoxazin-3-one
CID 25346949
3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione
CID 112779002
1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488
3-[2-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione
CID 127346778

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 1-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione (CID 112778988) is 1-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione is CN1CC(=O)N(CC(=O)N2CCN(c3ccccc3)CC2)C1=O.
What is the InChIKey of 1-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione?
The InChIKey is BSKCIRDWIDEFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-17-11-15(22)20(16(17)23)12-14(21)19-9-7-18(8-10-19)13-5-3-2-4-6-13/h2-6H,7-12H2,1H3.
What are the key properties of 1-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione?
1-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione has a molecular weight of 316.36 g/mol, XLogP of 0.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 112778988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).