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

C17H20F3N3O2 — CID 51673049

IUPAC(5R)-5-methyl-1-phenyl-3-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]imidazolidine-2,4-dione
SMILESC[C@@H]1C(=O)N(CN2CCC[C@H](C(F)(F)F)C2)C(=O)N1c1ccccc1
InChIInChI=1S/C17H20F3N3O2/c1-12-15(24)22(16(25)23(12)14-7-3-2-4-8-14)11-21-9-5-6-13(10-21)17(18,19)20/h2-4,7-8,12-13H,5-6,9-11H2,1H3/t12-,13+/m1/s1
InChIKeyUSCCPYSFTLSWAX-OLZOCXBDSA-N
MW355.36 g/mol
LogP3.08
Rot. Bonds3

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

(5R)-5-methyl-1-phenyl-3-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]imidazolidine-2,4-dione (PubChem CID 51673049) has the molecular formula C17H20F3N3O2 and a molecular weight of 355.36 g/mol. Its IUPAC name is (5R)-5-methyl-1-phenyl-3-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-methyl-1-phenyl-3-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]imidazolidine-2,4-dione
PubChem CID51673049
Molecular FormulaC17H20F3N3O2
Molecular Weight355.36 g/mol
Exact Mass355.15
IUPAC Name(5R)-5-methyl-1-phenyl-3-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]imidazolidine-2,4-dione
SMILESC[C@@H]1C(=O)N(CN2CCC[C@H](C(F)(F)F)C2)C(=O)N1c1ccccc1
InChIInChI=1S/C17H20F3N3O2/c1-12-15(24)22(16(25)23(12)14-7-3-2-4-8-14)11-21-9-5-6-13(10-21)17(18,19)20/h2-4,7-8,12-13H,5-6,9-11H2,1H3/t12-,13+/m1/s1
InChIKeyUSCCPYSFTLSWAX-OLZOCXBDSA-N
XLogP3.08
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 53.08
H-Bond Donors ≤ 50
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 (5R)-5-methyl-1-phenyl-3-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-methyl-1-phenyl-3-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]imidazolidine-2,4-dione (CID 51673049) is (5R)-5-methyl-1-phenyl-3-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-methyl-1-phenyl-3-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-methyl-1-phenyl-3-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]imidazolidine-2,4-dione is C[C@@H]1C(=O)N(CN2CCC[C@H](C(F)(F)F)C2)C(=O)N1c1ccccc1.
What is the InChIKey of (5R)-5-methyl-1-phenyl-3-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is USCCPYSFTLSWAX-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H20F3N3O2/c1-12-15(24)22(16(25)23(12)14-7-3-2-4-8-14)11-21-9-5-6-13(10-21)17(18,19)20/h2-4,7-8,12-13H,5-6,9-11H2,1H3/t12-,13+/m1/s1.
What are the key properties of (5R)-5-methyl-1-phenyl-3-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]imidazolidine-2,4-dione?
(5R)-5-methyl-1-phenyl-3-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 355.36 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-1-phenyl-3-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 51673049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).