5,5-dimethyl-3-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione

C13H18F3N3O3 — CID 24982466

IUPAC5,5-dimethyl-3-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CC(=O)N2CCCC(C(F)(F)F)C2)C1=O
InChIInChI=1S/C13H18F3N3O3/c1-12(2)10(21)19(11(22)17-12)7-9(20)18-5-3-4-8(6-18)13(14,15)16/h8H,3-7H2,1-2H3,(H,17,22)
InChIKeyIOZKVHKGJCQOAJ-UHFFFAOYSA-N
MW321.30 g/mol
LogP1.12
Rot. Bonds2

About 5,5-dimethyl-3-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione

5,5-dimethyl-3-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione (PubChem CID 24982466) has the molecular formula C13H18F3N3O3 and a molecular weight of 321.30 g/mol. Its IUPAC name is 5,5-dimethyl-3-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
PubChem CID24982466
Molecular FormulaC13H18F3N3O3
Molecular Weight321.30 g/mol
Exact Mass321.13
IUPAC Name5,5-dimethyl-3-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CC(=O)N2CCCC(C(F)(F)F)C2)C1=O
InChIInChI=1S/C13H18F3N3O3/c1-12(2)10(21)19(11(22)17-12)7-9(20)18-5-3-4-8(6-18)13(14,15)16/h8H,3-7H2,1-2H3,(H,17,22)
InChIKeyIOZKVHKGJCQOAJ-UHFFFAOYSA-N
XLogP1.12
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione (CID 24982466) is 5,5-dimethyl-3-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione is CC1(C)NC(=O)N(CC(=O)N2CCCC(C(F)(F)F)C2)C1=O.
What is the InChIKey of 5,5-dimethyl-3-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione?
The InChIKey is IOZKVHKGJCQOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O3/c1-12(2)10(21)19(11(22)17-12)7-9(20)18-5-3-4-8(6-18)13(14,15)16/h8H,3-7H2,1-2H3,(H,17,22).
What are the key properties of 5,5-dimethyl-3-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione has a molecular weight of 321.30 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 24982466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).