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

C11H16F3N3O2 — CID 42948772

IUPAC3-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H16F3N3O2/c12-11(13,14)8-2-1-3-16(7-8)4-5-17-9(18)6-15-10(17)19/h8H,1-7H2,(H,15,19)
InChIKeyNGYSCJKUEXBCIQ-UHFFFAOYSA-N
MW279.26 g/mol
LogP0.81
Rot. Bonds3

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

3-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione (PubChem CID 42948772) has the molecular formula C11H16F3N3O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is 3-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
PubChem CID42948772
Molecular FormulaC11H16F3N3O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC Name3-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H16F3N3O2/c12-11(13,14)8-2-1-3-16(7-8)4-5-17-9(18)6-15-10(17)19/h8H,1-7H2,(H,15,19)
InChIKeyNGYSCJKUEXBCIQ-UHFFFAOYSA-N
XLogP0.81
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,5-Dimethyl-3-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 24982466
3-[2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 24979519
3-methyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrrolidine-1-carboxamide
CID 71868037
N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3-(trifluoromethyl)piperidine-1-carboxamide
CID 71869797
N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-4-propan-2-ylpiperidine-1-carboxamide
CID 71985645
2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 3643364
2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 4877302
N-(propan-2-ylcarbamoyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 45794305
1-[2-[4-(Trifluoromethyl)piperidin-1-yl]acetyl]imidazolidin-2-one
CID 71986503
1-Methyl-3-[4-oxo-4-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]butyl]imidazolidine-2,4-dione
CID 132304110
N-(cyclopentylmethyl)-4-oxo-3-(2,2,2-trifluoroethyl)imidazolidine-1-carboxamide
CID 159344857
2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 2115759

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione (CID 42948772) is 3-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione is O=C1CNC(=O)N1CCN1CCCC(C(F)(F)F)C1.
What is the InChIKey of 3-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione?
The InChIKey is NGYSCJKUEXBCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2/c12-11(13,14)8-2-1-3-16(7-8)4-5-17-9(18)6-15-10(17)19/h8H,1-7H2,(H,15,19).
What are the key properties of 3-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione?
3-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione has a molecular weight of 279.26 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 42948772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).