1-[2-(4-fluorophenyl)ethyl]-3-(2-morpholin-4-ylethyl)-1,3-diazinane-2,4,6-trione

C18H22FN3O4 — CID 52937866

IUPAC1-[2-(4-fluorophenyl)ethyl]-3-(2-morpholin-4-ylethyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1CC(=O)N(CCN2CCOCC2)C(=O)N1CCc1ccc(F)cc1
InChIInChI=1S/C18H22FN3O4/c19-15-3-1-14(2-4-15)5-6-21-16(23)13-17(24)22(18(21)25)8-7-20-9-11-26-12-10-20/h1-4H,5-13H2
InChIKeyNOOQMHRATNYNHY-UHFFFAOYSA-N
MW363.39 g/mol
LogP0.88
Rot. Bonds6

About 1-[2-(4-fluorophenyl)ethyl]-3-(2-morpholin-4-ylethyl)-1,3-diazinane-2,4,6-trione

1-[2-(4-fluorophenyl)ethyl]-3-(2-morpholin-4-ylethyl)-1,3-diazinane-2,4,6-trione (PubChem CID 52937866) has the molecular formula C18H22FN3O4 and a molecular weight of 363.39 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl]-3-(2-morpholin-4-ylethyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethyl]-3-(2-morpholin-4-ylethyl)-1,3-diazinane-2,4,6-trione
PubChem CID52937866
Molecular FormulaC18H22FN3O4
Molecular Weight363.39 g/mol
Exact Mass363.16
IUPAC Name1-[2-(4-fluorophenyl)ethyl]-3-(2-morpholin-4-ylethyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1CC(=O)N(CCN2CCOCC2)C(=O)N1CCc1ccc(F)cc1
InChIInChI=1S/C18H22FN3O4/c19-15-3-1-14(2-4-15)5-6-21-16(23)13-17(24)22(18(21)25)8-7-20-9-11-26-12-10-20/h1-4H,5-13H2
InChIKeyNOOQMHRATNYNHY-UHFFFAOYSA-N
XLogP0.88
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5-Ethyl-6-hydroxy-3-((morpholin-4-yl)methyl)-5-phenylpyrimidine-2,4(3H,5H)-dione
CID 39598
1,3-Bis[2-(2-fluorophenyl)ethyl]-1,3-diazinane-2,4,6-trione
CID 52937564
1,3-Bis[2-(3-fluorophenyl)ethyl]-1,3-diazinane-2,4,6-trione
CID 52937666
1,3-Bis[2-(4-fluorophenyl)ethyl]-1,3-diazinane-2,4,6-trione
CID 52937667
1-[2-(Cyclohexen-1-yl)ethyl]-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione
CID 52937766
1-[2-(4-Fluorophenyl)ethyl]-3-(2-propan-2-yloxyethyl)-1,3-diazinane-2,4,6-trione
CID 52937865
1-[2-(4-Fluorophenyl)ethyl]-3-(4-phenylbutyl)-1,3-diazinane-2,4,6-trione
CID 52937867
US11685734, Example 193
CID 168474589
US11685734, Example 222
CID 168474599
1-[2-(3-Fluorophenyl)ethyl]-5-{[4-(2-methoxyethyl)-1-piperazinyl]carbonyl}-2-piperidinone
CID 24790838
4-[4-(4-Fluorophenyl)piperidine-1-carbonyl]morpholine
CID 6488724
2-Morpholin-4-yl-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 45803768

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-3-(2-morpholin-4-ylethyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-3-(2-morpholin-4-ylethyl)-1,3-diazinane-2,4,6-trione (CID 52937866) is 1-[2-(4-fluorophenyl)ethyl]-3-(2-morpholin-4-ylethyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethyl]-3-(2-morpholin-4-ylethyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethyl]-3-(2-morpholin-4-ylethyl)-1,3-diazinane-2,4,6-trione is O=C1CC(=O)N(CCN2CCOCC2)C(=O)N1CCc1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethyl]-3-(2-morpholin-4-ylethyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is NOOQMHRATNYNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O4/c19-15-3-1-14(2-4-15)5-6-21-16(23)13-17(24)22(18(21)25)8-7-20-9-11-26-12-10-20/h1-4H,5-13H2.
What are the key properties of 1-[2-(4-fluorophenyl)ethyl]-3-(2-morpholin-4-ylethyl)-1,3-diazinane-2,4,6-trione?
1-[2-(4-fluorophenyl)ethyl]-3-(2-morpholin-4-ylethyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 363.39 g/mol, XLogP of 0.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethyl]-3-(2-morpholin-4-ylethyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 52937866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).