(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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Related Compounds

5-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 154799872
2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine
CID 63388486
N-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 47174519
1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-2-one
CID 56872917
(5S)-5-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 95788188
1-(oxan-4-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 172899349
(3R)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 94918055
4-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]azepan-4-ol
CID 107407458
(3S)-3-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 68719907
2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-3-(trifluoromethyl)pyridine
CID 133300594
5-methyl-5-[1-[2-[3-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 45248339
(3aR,6aS)-5-[3-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114042570

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).