5-methyl-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione

C17H22N4O3 — CID 121437897

IUPAC5-methyl-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
SMILESCC1(CCC(=O)N2CCN(c3ccccc3)CC2)NC(=O)NC1=O
InChIInChI=1S/C17H22N4O3/c1-17(15(23)18-16(24)19-17)8-7-14(22)21-11-9-20(10-12-21)13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H2,18,19,23,24)
InChIKeyWYQZHRISWNRPRD-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.71
Rot. Bonds4

About 5-methyl-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione

5-methyl-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione (PubChem CID 121437897) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 5-methyl-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
PubChem CID121437897
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name5-methyl-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
SMILESCC1(CCC(=O)N2CCN(c3ccccc3)CC2)NC(=O)NC1=O
InChIInChI=1S/C17H22N4O3/c1-17(15(23)18-16(24)19-17)8-7-14(22)21-11-9-20(10-12-21)13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H2,18,19,23,24)
InChIKeyWYQZHRISWNRPRD-UHFFFAOYSA-N
XLogP0.71
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-methyl-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Phenyl-1,3,8-triazaspiro(4.5)decan-4-one
CID 70556
Aldumastat
CID 121448788
1-Phenylimidazolidine-2,4-dione
CID 570576
8-Cyclododecyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
CID 10000890
8-Cycloundecyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
CID 19347356
8-Benzyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
CID 70419
1,3,8-Triazaspiro(4.5)decan-4-one, 3-methyl-1-phenyl-, hydrochloride (1:1)
CID 197731
5-Methyl-3-phenylimidazolidine-2,4-dione
CID 5146782
(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-phenylpyrrolidine-2-carboxamide
CID 23646334
2-(2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)-N-(4-fluorophenyl)acetamide
CID 2078174
N-(tert-butylcarbamoyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 2161759
N-(4-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 2584000

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione (CID 121437897) is 5-methyl-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione is CC1(CCC(=O)N2CCN(c3ccccc3)CC2)NC(=O)NC1=O.
What is the InChIKey of 5-methyl-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione?
The InChIKey is WYQZHRISWNRPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-17(15(23)18-16(24)19-17)8-7-14(22)21-11-9-20(10-12-21)13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H2,18,19,23,24).
What are the key properties of 5-methyl-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione?
5-methyl-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione has a molecular weight of 330.39 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 121437897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).