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

C21H22FN5O3 — CID 121437723

IUPAC5-[3-[4-(3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCC(=O)N2CCN(c3cccc(F)c3)CC2)(c2ccccn2)N1
InChIInChI=1S/C21H22FN5O3/c22-15-4-3-5-16(14-15)26-10-12-27(13-11-26)18(28)7-8-21(17-6-1-2-9-23-17)19(29)24-20(30)25-21/h1-6,9,14H,7-8,10-13H2,(H2,24,25,29,30)
InChIKeyXDCORYPKECEONK-UHFFFAOYSA-N
MW411.44 g/mol
LogP1.38
Rot. Bonds5

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

5-[3-[4-(3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione (PubChem CID 121437723) has the molecular formula C21H22FN5O3 and a molecular weight of 411.44 g/mol. Its IUPAC name is 5-[3-[4-(3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[4-(3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione
PubChem CID121437723
Molecular FormulaC21H22FN5O3
Molecular Weight411.44 g/mol
Exact Mass411.17
IUPAC Name5-[3-[4-(3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCC(=O)N2CCN(c3cccc(F)c3)CC2)(c2ccccn2)N1
InChIInChI=1S/C21H22FN5O3/c22-15-4-3-5-16(14-15)26-10-12-27(13-11-26)18(28)7-8-21(17-6-1-2-9-23-17)19(29)24-20(30)25-21/h1-6,9,14H,7-8,10-13H2,(H2,24,25,29,30)
InChIKeyXDCORYPKECEONK-UHFFFAOYSA-N
XLogP1.38
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione?
The IUPAC name of 5-[3-[4-(3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione (CID 121437723) is 5-[3-[4-(3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[4-(3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 5-[3-[4-(3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione is O=C1NC(=O)C(CCC(=O)N2CCN(c3cccc(F)c3)CC2)(c2ccccn2)N1.
What is the InChIKey of 5-[3-[4-(3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione?
The InChIKey is XDCORYPKECEONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O3/c22-15-4-3-5-16(14-15)26-10-12-27(13-11-26)18(28)7-8-21(17-6-1-2-9-23-17)19(29)24-20(30)25-21/h1-6,9,14H,7-8,10-13H2,(H2,24,25,29,30).
What are the key properties of 5-[3-[4-(3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione?
5-[3-[4-(3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione has a molecular weight of 411.44 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 121437723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).