3-piperidin-4-ylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid

C10H14F3N3O4 — CID 68800457

IUPAC3-piperidin-4-ylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1CNC(=O)N1C1CCNCC1
InChIInChI=1S/C8H13N3O2.C2HF3O2/c12-7-5-10-8(13)11(7)6-1-3-9-4-2-6;3-2(4,5)1(6)7/h6,9H,1-5H2,(H,10,13);(H,6,7)
InChIKeyPRASFWKDZOJERF-UHFFFAOYSA-N
MW297.23 g/mol
LogP-0.08
Rot. Bonds1

About 3-piperidin-4-ylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid

3-piperidin-4-ylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid (PubChem CID 68800457) has the molecular formula C10H14F3N3O4 and a molecular weight of 297.23 g/mol. Its IUPAC name is 3-piperidin-4-ylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-piperidin-4-ylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid
PubChem CID68800457
Molecular FormulaC10H14F3N3O4
Molecular Weight297.23 g/mol
Exact Mass297.09
IUPAC Name3-piperidin-4-ylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1CNC(=O)N1C1CCNCC1
InChIInChI=1S/C8H13N3O2.C2HF3O2/c12-7-5-10-8(13)11(7)6-1-3-9-4-2-6;3-2(4,5)1(6)7/h6,9H,1-5H2,(H,10,13);(H,6,7)
InChIKeyPRASFWKDZOJERF-UHFFFAOYSA-N
XLogP-0.08
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-ylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-piperidin-4-ylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid (CID 68800457) is 3-piperidin-4-ylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-piperidin-4-ylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-piperidin-4-ylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C1CNC(=O)N1C1CCNCC1.
What is the InChIKey of 3-piperidin-4-ylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid?
The InChIKey is PRASFWKDZOJERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2.C2HF3O2/c12-7-5-10-8(13)11(7)6-1-3-9-4-2-6;3-2(4,5)1(6)7/h6,9H,1-5H2,(H,10,13);(H,6,7).
What are the key properties of 3-piperidin-4-ylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid?
3-piperidin-4-ylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid has a molecular weight of 297.23 g/mol, XLogP of -0.08, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-ylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68800457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).