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

C16H20FN5O3 — CID 121437869

IUPAC5-[3-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(CCC(=O)N2CCN(c3cncc(F)c3)CC2)NC(=O)NC1=O
InChIInChI=1S/C16H20FN5O3/c1-16(14(24)19-15(25)20-16)3-2-13(23)22-6-4-21(5-7-22)12-8-11(17)9-18-10-12/h8-10H,2-7H2,1H3,(H2,19,20,24,25)
InChIKeyWLLSNLPVZQAZJX-UHFFFAOYSA-N
MW349.37 g/mol
LogP0.25
Rot. Bonds4

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

5-[3-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione (PubChem CID 121437869) has the molecular formula C16H20FN5O3 and a molecular weight of 349.37 g/mol. Its IUPAC name is 5-[3-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
PubChem CID121437869
Molecular FormulaC16H20FN5O3
Molecular Weight349.37 g/mol
Exact Mass349.16
IUPAC Name5-[3-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(CCC(=O)N2CCN(c3cncc(F)c3)CC2)NC(=O)NC1=O
InChIInChI=1S/C16H20FN5O3/c1-16(14(24)19-15(25)20-16)3-2-13(23)22-6-4-21(5-7-22)12-8-11(17)9-18-10-12/h8-10H,2-7H2,1H3,(H2,19,20,24,25)
InChIKeyWLLSNLPVZQAZJX-UHFFFAOYSA-N
XLogP0.25
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[3-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-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

3,5-Dimethyl-3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),10,12-triene-4,6-dione
CID 44457469
2-Cyclobutyl-7-(5-fluoropyridin-3-yl)-5,7-diazaspiro[3.4]octane-6,8-dione
CID 162625310
5,5-Dimethyl-3-(pyridin-3-yl)imidazolidine-2,4-dione
CID 119049365
5-[3-[4-(3,4-Difluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione
CID 121437622
5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione
CID 121437633
5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-(6-methyl-3-pyridinyl)imidazolidine-2,4-dione
CID 121437650
5-[3-[4-(3-Fluoro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione
CID 121437652
5-[3-[4-(5-Fluoro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione
CID 121437662
5-[3-[(3S)-4-(3,5-difluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-(6-methyl-3-pyridinyl)imidazolidine-2,4-dione
CID 121437701
5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 121437719
5-[3-[4-(3-Fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 121437723
5-[3-[(3S)-4-(3,4-difluorophenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 121437753

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[3-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione (CID 121437869) is 5-[3-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[3-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione is CC1(CCC(=O)N2CCN(c3cncc(F)c3)CC2)NC(=O)NC1=O.
What is the InChIKey of 5-[3-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is WLLSNLPVZQAZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O3/c1-16(14(24)19-15(25)20-16)3-2-13(23)22-6-4-21(5-7-22)12-8-11(17)9-18-10-12/h8-10H,2-7H2,1H3,(H2,19,20,24,25).
What are the key properties of 5-[3-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
5-[3-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 349.37 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 121437869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).