3-methoxy-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one

C15H19F3N4O2 — CID 156733403

IUPAC3-methoxy-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one
SMILESCOC1CCN(C2CCN(c3ncc(C(F)(F)F)cn3)CC2)C1=O
InChIInChI=1S/C15H19F3N4O2/c1-24-12-4-7-22(13(12)23)11-2-5-21(6-3-11)14-19-8-10(9-20-14)15(16,17)18/h8-9,11-12H,2-7H2,1H3
InChIKeyWUXVEMSCXUHXAL-UHFFFAOYSA-N
MW344.34 g/mol
LogP1.71
Rot. Bonds3

About 3-methoxy-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one

3-methoxy-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one (PubChem CID 156733403) has the molecular formula C15H19F3N4O2 and a molecular weight of 344.34 g/mol. Its IUPAC name is 3-methoxy-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-methoxy-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one
PubChem CID156733403
Molecular FormulaC15H19F3N4O2
Molecular Weight344.34 g/mol
Exact Mass344.15
IUPAC Name3-methoxy-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one
SMILESCOC1CCN(C2CCN(c3ncc(C(F)(F)F)cn3)CC2)C1=O
InChIInChI=1S/C15H19F3N4O2/c1-24-12-4-7-22(13(12)23)11-2-5-21(6-3-11)14-19-8-10(9-20-14)15(16,17)18/h8-9,11-12H,2-7H2,1H3
InChIKeyWUXVEMSCXUHXAL-UHFFFAOYSA-N
XLogP1.71
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(2R)-4-[(3S)-2-oxo-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-3-yl]butan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 157419098
(3S)-3-(2-fluoro-4-methylsulfonylanilino)-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]piperidin-2-one
CID 54670343
(3S)-1-[(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-3-hydroxypyrrolidin-2-one
CID 164580287
4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide
CID 129105303
6,7-dichloro-1-methyl-4-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrido[2,3-b]pyrazine-2,3-dione
CID 170344679
4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylic acid
CID 171778967
[(2S)-1-[(3R)-1-[(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-2-oxopyrrolidin-3-yl]oxypropan-2-yl] carbamate
CID 175268586
tert-butyl N-[1-[(3R)-1-[(3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-2-oxopyrrolidin-3-yl]oxypropan-2-yl]carbamate
CID 175375320
tert-butyl N-[(2S)-1-[(3R)-1-[(3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-2-oxopyrrolidin-3-yl]oxypropan-2-yl]carbamate
CID 156678817
1-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]imidazolidin-2-one
CID 154464385
5-bromo-2-[1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethoxy]-1,3-thiazole
CID 175370745
(3S)-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carbonyl]pyrrolidine-1-carboxylic acid
CID 175531054

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 3-methoxy-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one (CID 156733403) is 3-methoxy-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 3-methoxy-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 3-methoxy-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one is COC1CCN(C2CCN(c3ncc(C(F)(F)F)cn3)CC2)C1=O.
What is the InChIKey of 3-methoxy-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is WUXVEMSCXUHXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O2/c1-24-12-4-7-22(13(12)23)11-2-5-21(6-3-11)14-19-8-10(9-20-14)15(16,17)18/h8-9,11-12H,2-7H2,1H3.
What are the key properties of 3-methoxy-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one?
3-methoxy-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 344.34 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 156733403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).