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

C15H17F3N4O2 — CID 95188149

IUPAC(5R)-5-methyl-5-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESC[C@]1(C2CCN(c3ncccc3C(F)(F)F)CC2)NC(=O)NC1=O
InChIInChI=1S/C15H17F3N4O2/c1-14(12(23)20-13(24)21-14)9-4-7-22(8-5-9)11-10(15(16,17)18)3-2-6-19-11/h2-3,6,9H,4-5,7-8H2,1H3,(H2,20,21,23,24)/t14-/m1/s1
InChIKeyMQAVXUUVWYRPIN-CQSZACIVSA-N
MW342.32 g/mol
LogP1.91
Rot. Bonds2

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

(5R)-5-methyl-5-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 95188149) has the molecular formula C15H17F3N4O2 and a molecular weight of 342.32 g/mol. Its IUPAC name is (5R)-5-methyl-5-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-methyl-5-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID95188149
Molecular FormulaC15H17F3N4O2
Molecular Weight342.32 g/mol
Exact Mass342.13
IUPAC Name(5R)-5-methyl-5-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESC[C@]1(C2CCN(c3ncccc3C(F)(F)F)CC2)NC(=O)NC1=O
InChIInChI=1S/C15H17F3N4O2/c1-14(12(23)20-13(24)21-14)9-4-7-22(8-5-9)11-10(15(16,17)18)3-2-6-19-11/h2-3,6,9H,4-5,7-8H2,1H3,(H2,20,21,23,24)/t14-/m1/s1
InChIKeyMQAVXUUVWYRPIN-CQSZACIVSA-N
XLogP1.91
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-5-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-methyl-5-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]imidazolidine-2,4-dione (CID 95188149) is (5R)-5-methyl-5-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-methyl-5-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-methyl-5-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]imidazolidine-2,4-dione is C[C@]1(C2CCN(c3ncccc3C(F)(F)F)CC2)NC(=O)NC1=O.
What is the InChIKey of (5R)-5-methyl-5-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is MQAVXUUVWYRPIN-CQSZACIVSA-N. The full InChI is InChI=1S/C15H17F3N4O2/c1-14(12(23)20-13(24)21-14)9-4-7-22(8-5-9)11-10(15(16,17)18)3-2-6-19-11/h2-3,6,9H,4-5,7-8H2,1H3,(H2,20,21,23,24)/t14-/m1/s1.
What are the key properties of (5R)-5-methyl-5-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]imidazolidine-2,4-dione?
(5R)-5-methyl-5-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 342.32 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-5-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 95188149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).