(5S)-5-cyclopropyl-5-methyl-3-[2-oxo-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione

C15H20F3N3O3 — CID 31640874

IUPAC(5S)-5-cyclopropyl-5-methyl-3-[2-oxo-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESC[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1=O
InChIInChI=1S/C15H20F3N3O3/c1-14(9-4-5-9)12(23)21(13(24)19-14)8-11(22)20-6-2-3-10(7-20)15(16,17)18/h9-10H,2-8H2,1H3,(H,19,24)/t10-,14+/m1/s1
InChIKeyVZWUVIGWELFYBR-YGRLFVJLSA-N
MW347.34 g/mol
LogP1.51
Rot. Bonds3

About (5S)-5-cyclopropyl-5-methyl-3-[2-oxo-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione

(5S)-5-cyclopropyl-5-methyl-3-[2-oxo-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione (PubChem CID 31640874) has the molecular formula C15H20F3N3O3 and a molecular weight of 347.34 g/mol. Its IUPAC name is (5S)-5-cyclopropyl-5-methyl-3-[2-oxo-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-cyclopropyl-5-methyl-3-[2-oxo-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
PubChem CID31640874
Molecular FormulaC15H20F3N3O3
Molecular Weight347.34 g/mol
Exact Mass347.15
IUPAC Name(5S)-5-cyclopropyl-5-methyl-3-[2-oxo-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESC[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1=O
InChIInChI=1S/C15H20F3N3O3/c1-14(9-4-5-9)12(23)21(13(24)19-14)8-11(22)20-6-2-3-10(7-20)15(16,17)18/h9-10H,2-8H2,1H3,(H,19,24)/t10-,14+/m1/s1
InChIKeyVZWUVIGWELFYBR-YGRLFVJLSA-N
XLogP1.51
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 51.51
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-cyclopropyl-5-methyl-3-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride
CID 119488225
5-cyclopropyl-5-methyl-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 119395261
(3R)-1-[2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 125134505
(5R)-5-cyclohexyl-5-methyl-3-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]imidazolidine-2,4-dione
CID 51887205
(5S)-5-cyclopropyl-3-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 94512474
2-[4-[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide
CID 55642373
(5R)-3-[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 8576352
1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 60655671
2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 7043073
2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride
CID 120776491
5-cyclopropyl-5-methyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride
CID 119649000
5-cyclopropyl-3-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione;hydrochloride
CID 119644656

Frequently Asked Questions

What is the IUPAC name of (5S)-5-cyclopropyl-5-methyl-3-[2-oxo-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-cyclopropyl-5-methyl-3-[2-oxo-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione (CID 31640874) is (5S)-5-cyclopropyl-5-methyl-3-[2-oxo-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-cyclopropyl-5-methyl-3-[2-oxo-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-cyclopropyl-5-methyl-3-[2-oxo-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione is C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1=O.
What is the InChIKey of (5S)-5-cyclopropyl-5-methyl-3-[2-oxo-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione?
The InChIKey is VZWUVIGWELFYBR-YGRLFVJLSA-N. The full InChI is InChI=1S/C15H20F3N3O3/c1-14(9-4-5-9)12(23)21(13(24)19-14)8-11(22)20-6-2-3-10(7-20)15(16,17)18/h9-10H,2-8H2,1H3,(H,19,24)/t10-,14+/m1/s1.
What are the key properties of (5S)-5-cyclopropyl-5-methyl-3-[2-oxo-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione?
(5S)-5-cyclopropyl-5-methyl-3-[2-oxo-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione has a molecular weight of 347.34 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-cyclopropyl-5-methyl-3-[2-oxo-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 31640874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).