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

C16H16F6N3O3+ — CID 7298512

IUPAC(5R)-5-piperidin-1-ium-1-yl-3-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESO=C1N[C@]([NH+]2CCCCC2)(C(F)(F)F)C(=O)N1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H15F6N3O3/c17-15(18,19)14(24-8-2-1-3-9-24)12(26)25(13(27)23-14)10-4-6-11(7-5-10)28-16(20,21)22/h4-7H,1-3,8-9H2,(H,23,27)/p+1/t14-/m1/s1
InChIKeyXXGQCTNAWBCHPM-CQSZACIVSA-O
MW412.31 g/mol
LogP1.97
Rot. Bonds3

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

(5R)-5-piperidin-1-ium-1-yl-3-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)imidazolidine-2,4-dione (PubChem CID 7298512) has the molecular formula C16H16F6N3O3+ and a molecular weight of 412.31 g/mol. Its IUPAC name is (5R)-5-piperidin-1-ium-1-yl-3-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-piperidin-1-ium-1-yl-3-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)imidazolidine-2,4-dione
PubChem CID7298512
Molecular FormulaC16H16F6N3O3+
Molecular Weight412.31 g/mol
Exact Mass412.11
IUPAC Name(5R)-5-piperidin-1-ium-1-yl-3-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESO=C1N[C@]([NH+]2CCCCC2)(C(F)(F)F)C(=O)N1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H15F6N3O3/c17-15(18,19)14(24-8-2-1-3-9-24)12(26)25(13(27)23-14)10-4-6-11(7-5-10)28-16(20,21)22/h4-7H,1-3,8-9H2,(H,23,27)/p+1/t14-/m1/s1
InChIKeyXXGQCTNAWBCHPM-CQSZACIVSA-O
XLogP1.97
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.31
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5R)-5-piperidin-1-ium-1-yl-3-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-5-piperidin-1-ium-1-yl-3-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-piperidin-1-ium-1-yl-3-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)imidazolidine-2,4-dione (CID 7298512) is (5R)-5-piperidin-1-ium-1-yl-3-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-piperidin-1-ium-1-yl-3-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-piperidin-1-ium-1-yl-3-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)imidazolidine-2,4-dione is O=C1N[C@]([NH+]2CCCCC2)(C(F)(F)F)C(=O)N1c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (5R)-5-piperidin-1-ium-1-yl-3-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)imidazolidine-2,4-dione?
The InChIKey is XXGQCTNAWBCHPM-CQSZACIVSA-O. The full InChI is InChI=1S/C16H15F6N3O3/c17-15(18,19)14(24-8-2-1-3-9-24)12(26)25(13(27)23-14)10-4-6-11(7-5-10)28-16(20,21)22/h4-7H,1-3,8-9H2,(H,23,27)/p+1/t14-/m1/s1.
What are the key properties of (5R)-5-piperidin-1-ium-1-yl-3-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)imidazolidine-2,4-dione?
(5R)-5-piperidin-1-ium-1-yl-3-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)imidazolidine-2,4-dione has a molecular weight of 412.31 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-piperidin-1-ium-1-yl-3-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 7298512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).