5-[3-[4-(3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione

C17H21FN4O3 — CID 121437772

IUPAC5-[3-[4-(3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(CCC(=O)N2CCN(c3cccc(F)c3)CC2)NC(=O)NC1=O
InChIInChI=1S/C17H21FN4O3/c1-17(15(24)19-16(25)20-17)6-5-14(23)22-9-7-21(8-10-22)13-4-2-3-12(18)11-13/h2-4,11H,5-10H2,1H3,(H2,19,20,24,25)
InChIKeyXMWREONCCQNTDL-UHFFFAOYSA-N
MW348.38 g/mol
LogP0.85
Rot. Bonds4

About 5-[3-[4-(3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione

5-[3-[4-(3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione (PubChem CID 121437772) has the molecular formula C17H21FN4O3 and a molecular weight of 348.38 g/mol. Its IUPAC name is 5-[3-[4-(3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[4-(3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
PubChem CID121437772
Molecular FormulaC17H21FN4O3
Molecular Weight348.38 g/mol
Exact Mass348.16
IUPAC Name5-[3-[4-(3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(CCC(=O)N2CCN(c3cccc(F)c3)CC2)NC(=O)NC1=O
InChIInChI=1S/C17H21FN4O3/c1-17(15(24)19-16(25)20-17)6-5-14(23)22-9-7-21(8-10-22)13-4-2-3-12(18)11-13/h2-4,11H,5-10H2,1H3,(H2,19,20,24,25)
InChIKeyXMWREONCCQNTDL-UHFFFAOYSA-N
XLogP0.85
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 50.85
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

1-Phenyl-1,3,8-triazaspiro(4.5)decan-4-one
CID 70556
Aldumastat
CID 121448788
1,3,8-Triazaspiro(4.5)decan-4-one, 8-(4-(p-fluorophenyl)butyl)-1-phenyl-
CID 120580
1,3,8-Triazaspiro(4.5)decan-4-one, 3-methyl-1-phenyl-, hydrochloride (1:1)
CID 197731
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
2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 3909305
N-(3-fluoro-4-methylphenyl)-2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4694377
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 4964169
N-[(2-fluorophenyl)carbamoyl]-2-piperidin-1-ylacetamide
CID 8894654
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 9503158

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[3-[4-(3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione (CID 121437772) is 5-[3-[4-(3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[4-(3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[3-[4-(3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione is CC1(CCC(=O)N2CCN(c3cccc(F)c3)CC2)NC(=O)NC1=O.
What is the InChIKey of 5-[3-[4-(3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is XMWREONCCQNTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O3/c1-17(15(24)19-16(25)20-17)6-5-14(23)22-9-7-21(8-10-22)13-4-2-3-12(18)11-13/h2-4,11H,5-10H2,1H3,(H2,19,20,24,25).
What are the key properties of 5-[3-[4-(3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
5-[3-[4-(3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 348.38 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 121437772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).