5-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-phenylimidazolidine-2,4-dione

C18H22N4O4 — CID 110677215

IUPAC5-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-phenylimidazolidine-2,4-dione
SMILESCC(=O)N1CCN(C(=O)CCC2(c3ccccc3)NC(=O)NC2=O)CC1
InChIInChI=1S/C18H22N4O4/c1-13(23)21-9-11-22(12-10-21)15(24)7-8-18(14-5-3-2-4-6-14)16(25)19-17(26)20-18/h2-6H,7-12H2,1H3,(H2,19,20,25,26)
InChIKeyZZHPQPNXLOAMMV-UHFFFAOYSA-N
MW358.40 g/mol
LogP0.19
Rot. Bonds4

About 5-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-phenylimidazolidine-2,4-dione

5-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-phenylimidazolidine-2,4-dione (PubChem CID 110677215) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 5-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-phenylimidazolidine-2,4-dione
PubChem CID110677215
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name5-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-phenylimidazolidine-2,4-dione
SMILESCC(=O)N1CCN(C(=O)CCC2(c3ccccc3)NC(=O)NC2=O)CC1
InChIInChI=1S/C18H22N4O4/c1-13(23)21-9-11-22(12-10-21)15(24)7-8-18(14-5-3-2-4-6-14)16(25)19-17(26)20-18/h2-6H,7-12H2,1H3,(H2,19,20,25,26)
InChIKeyZZHPQPNXLOAMMV-UHFFFAOYSA-N
XLogP0.19
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 50.19
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

5-[3-(azepan-1-yl)-3-oxopropyl]-5-phenylimidazolidine-2,4-dione
CID 110677250
5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-phenylimidazolidine-2,4-dione
CID 121437598
5-(4-chlorophenyl)-5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 121437904
5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione
CID 121437579
5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(4-methylsulfanylphenyl)imidazolidine-2,4-dione
CID 137468170
N-benzyl-3-(2,5-dioxo-4-phenylimidazolidin-4-yl)propanamide
CID 110677217
5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-[4-[(dimethylamino)methyl]phenyl]imidazolidine-2,4-dione
CID 121437807
5-cyclopropyl-5-[3-(4-methyl-4-phenylpiperidin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione
CID 164626807
N-[(2-chlorophenyl)methyl]-3-(2,5-dioxo-4-phenylimidazolidin-4-yl)propanamide
CID 110677225
3-(2,5-dioxo-4-phenylimidazolidin-4-yl)-N-[(4-methylphenyl)methyl]propanamide
CID 110677220
(5S)-5-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 163640973
3-(2,5-dioxo-4-phenylimidazolidin-4-yl)-2-methylpropanoic acid
CID 146180545

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 5-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-phenylimidazolidine-2,4-dione (CID 110677215) is 5-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 5-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-phenylimidazolidine-2,4-dione is CC(=O)N1CCN(C(=O)CCC2(c3ccccc3)NC(=O)NC2=O)CC1.
What is the InChIKey of 5-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-phenylimidazolidine-2,4-dione?
The InChIKey is ZZHPQPNXLOAMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-13(23)21-9-11-22(12-10-21)15(24)7-8-18(14-5-3-2-4-6-14)16(25)19-17(26)20-18/h2-6H,7-12H2,1H3,(H2,19,20,25,26).
What are the key properties of 5-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-phenylimidazolidine-2,4-dione?
5-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-phenylimidazolidine-2,4-dione has a molecular weight of 358.40 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 110677215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).