5,5-dimethyl-3-[2-[(3R)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

C18H24N4O3 — CID 124964953

IUPAC5,5-dimethyl-3-[2-[(3R)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESCN1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C[C@H]1c1ccccc1
InChIInChI=1S/C18H24N4O3/c1-18(2)16(24)22(17(25)19-18)12-15(23)21-10-9-20(3)14(11-21)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,19,25)/t14-/m0/s1
InChIKeyIBJJLLCYYKPXQK-AWEZNQCLSA-N
MW344.41 g/mol
LogP0.83
Rot. Bonds3

About 5,5-dimethyl-3-[2-[(3R)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

5,5-dimethyl-3-[2-[(3R)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 124964953) has the molecular formula C18H24N4O3 and a molecular weight of 344.41 g/mol. Its IUPAC name is 5,5-dimethyl-3-[2-[(3R)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[2-[(3R)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID124964953
Molecular FormulaC18H24N4O3
Molecular Weight344.41 g/mol
Exact Mass344.18
IUPAC Name5,5-dimethyl-3-[2-[(3R)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESCN1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C[C@H]1c1ccccc1
InChIInChI=1S/C18H24N4O3/c1-18(2)16(24)22(17(25)19-18)12-15(23)21-10-9-20(3)14(11-21)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,19,25)/t14-/m0/s1
InChIKeyIBJJLLCYYKPXQK-AWEZNQCLSA-N
XLogP0.83
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 50.83
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
1-(4-methyl-3-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylethanone
CID 77095873
3-[2-[(3S,4S)-3,4-dihydroxy-4-phenylpiperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 163310062
3-[2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 79403579
3-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 66291672
4-[2-[(3S)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]-1,2-dihydropyridazine-3,6-dione
CID 95215004
2-(4-methyl-3-phenylpiperazin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 171387000
2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-4-methyl-3-phenylpiperazin-1-yl]ethanone
CID 124961259
methyl 4-methyl-3-phenylpiperazine-1-carboxylate
CID 110602881
3-(benzenesulfonyl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one
CID 110416820
3-(4-methylphenyl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one
CID 110416826
2-butoxy-1-(4-methyl-3-phenylpiperazin-1-yl)ethanone
CID 86285799

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[2-[(3R)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[2-[(3R)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (CID 124964953) is 5,5-dimethyl-3-[2-[(3R)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[2-[(3R)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[2-[(3R)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is CN1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C[C@H]1c1ccccc1.
What is the InChIKey of 5,5-dimethyl-3-[2-[(3R)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is IBJJLLCYYKPXQK-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-18(2)16(24)22(17(25)19-18)12-15(23)21-10-9-20(3)14(11-21)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,19,25)/t14-/m0/s1.
What are the key properties of 5,5-dimethyl-3-[2-[(3R)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[2-[(3R)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 344.41 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[2-[(3R)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 124964953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).