3-[2-[2-(3-fluorophenyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione

C17H23FN4O2 — CID 120756565

IUPAC3-[2-[2-(3-fluorophenyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCN2CCNCC2c2cccc(F)c2)C1=O
InChIInChI=1S/C17H23FN4O2/c1-17(2)15(23)22(16(24)20-17)9-8-21-7-6-19-11-14(21)12-4-3-5-13(18)10-12/h3-5,10,14,19H,6-9,11H2,1-2H3,(H,20,24)
InChIKeyPNKVLLHQGXHSPI-UHFFFAOYSA-N
MW334.39 g/mol
LogP1.10
Rot. Bonds4

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

3-[2-[2-(3-fluorophenyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 120756565) has the molecular formula C17H23FN4O2 and a molecular weight of 334.39 g/mol. Its IUPAC name is 3-[2-[2-(3-fluorophenyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[2-(3-fluorophenyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID120756565
Molecular FormulaC17H23FN4O2
Molecular Weight334.39 g/mol
Exact Mass334.18
IUPAC Name3-[2-[2-(3-fluorophenyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCN2CCNCC2c2cccc(F)c2)C1=O
InChIInChI=1S/C17H23FN4O2/c1-17(2)15(23)22(16(24)20-17)9-8-21-7-6-19-11-14(21)12-4-3-5-13(18)10-12/h3-5,10,14,19H,6-9,11H2,1-2H3,(H,20,24)
InChIKeyPNKVLLHQGXHSPI-UHFFFAOYSA-N
XLogP1.10
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[2-[2-(3-fluorophenyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-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

3-[2-[2-(4-ethylphenyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 120758033
3-[3-[2-(3-fluorophenyl)pyrrolidin-1-yl]propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 47058227
2-(3-fluorophenyl)-1-(3,3,3-trifluoropropyl)piperazine
CID 120756509
2-(3-fluorophenyl)-1-(2-propylsulfonylethyl)piperazine;hydrochloride
CID 120756264
1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-(3-fluorophenyl)piperazine
CID 138041241
2-(3-fluorophenyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperazine
CID 120756895
5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 120768560
3-[2-(3-fluorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 120756233
1-(cyclopropylmethyl)-2-(3-fluorophenyl)piperazine;hydrochloride
CID 120768681
3-[4-[2-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]-5,5-dimethylimidazolidine-2,4-dione
CID 120801960
3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2-oxazole
CID 120756803
3-[3-[2-(3-bromophenyl)pyrrolidin-1-yl]propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 47057220

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(3-fluorophenyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-[2-(3-fluorophenyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 120756565) is 3-[2-[2-(3-fluorophenyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[2-(3-fluorophenyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[2-(3-fluorophenyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(CCN2CCNCC2c2cccc(F)c2)C1=O.
What is the InChIKey of 3-[2-[2-(3-fluorophenyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is PNKVLLHQGXHSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O2/c1-17(2)15(23)22(16(24)20-17)9-8-21-7-6-19-11-14(21)12-4-3-5-13(18)10-12/h3-5,10,14,19H,6-9,11H2,1-2H3,(H,20,24).
What are the key properties of 3-[2-[2-(3-fluorophenyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[2-[2-(3-fluorophenyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 334.39 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(3-fluorophenyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 120756565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).