1-(1,3-dimethylpiperidin-4-yl)-5-fluoro-1,3-diazinane-2,4,6-trione

C11H16FN3O3 — CID 114507198

IUPAC1-(1,3-dimethylpiperidin-4-yl)-5-fluoro-1,3-diazinane-2,4,6-trione
SMILESCC1CN(C)CCC1N1C(=O)NC(=O)C(F)C1=O
InChIInChI=1S/C11H16FN3O3/c1-6-5-14(2)4-3-7(6)15-10(17)8(12)9(16)13-11(15)18/h6-8H,3-5H2,1-2H3,(H,13,16,18)
InChIKeyUZYSUDDYFTTWHI-UHFFFAOYSA-N
MW257.26 g/mol
LogP-0.26
Rot. Bonds1

About 1-(1,3-dimethylpiperidin-4-yl)-5-fluoro-1,3-diazinane-2,4,6-trione

1-(1,3-dimethylpiperidin-4-yl)-5-fluoro-1,3-diazinane-2,4,6-trione (PubChem CID 114507198) has the molecular formula C11H16FN3O3 and a molecular weight of 257.26 g/mol. Its IUPAC name is 1-(1,3-dimethylpiperidin-4-yl)-5-fluoro-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(1,3-dimethylpiperidin-4-yl)-5-fluoro-1,3-diazinane-2,4,6-trione
PubChem CID114507198
Molecular FormulaC11H16FN3O3
Molecular Weight257.26 g/mol
Exact Mass257.12
IUPAC Name1-(1,3-dimethylpiperidin-4-yl)-5-fluoro-1,3-diazinane-2,4,6-trione
SMILESCC1CN(C)CCC1N1C(=O)NC(=O)C(F)C1=O
InChIInChI=1S/C11H16FN3O3/c1-6-5-14(2)4-3-7(6)15-10(17)8(12)9(16)13-11(15)18/h6-8H,3-5H2,1-2H3,(H,13,16,18)
InChIKeyUZYSUDDYFTTWHI-UHFFFAOYSA-N
XLogP-0.26
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpiperidin-4-yl)-5-fluoro-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-(1,3-dimethylpiperidin-4-yl)-5-fluoro-1,3-diazinane-2,4,6-trione (CID 114507198) is 1-(1,3-dimethylpiperidin-4-yl)-5-fluoro-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-(1,3-dimethylpiperidin-4-yl)-5-fluoro-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-(1,3-dimethylpiperidin-4-yl)-5-fluoro-1,3-diazinane-2,4,6-trione is CC1CN(C)CCC1N1C(=O)NC(=O)C(F)C1=O.
What is the InChIKey of 1-(1,3-dimethylpiperidin-4-yl)-5-fluoro-1,3-diazinane-2,4,6-trione?
The InChIKey is UZYSUDDYFTTWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O3/c1-6-5-14(2)4-3-7(6)15-10(17)8(12)9(16)13-11(15)18/h6-8H,3-5H2,1-2H3,(H,13,16,18).
What are the key properties of 1-(1,3-dimethylpiperidin-4-yl)-5-fluoro-1,3-diazinane-2,4,6-trione?
1-(1,3-dimethylpiperidin-4-yl)-5-fluoro-1,3-diazinane-2,4,6-trione has a molecular weight of 257.26 g/mol, XLogP of -0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpiperidin-4-yl)-5-fluoro-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 114507198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).