3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one

C17H23F3N4O2 — CID 126943669

IUPAC3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
SMILESO=C1CCCN1CCN1CCC(Cn2cnc(C(F)(F)F)cc2=O)CC1
InChIInChI=1S/C17H23F3N4O2/c18-17(19,20)14-10-16(26)24(12-21-14)11-13-3-6-22(7-4-13)8-9-23-5-1-2-15(23)25/h10,12-13H,1-9,11H2
InChIKeyRZAIGJADUWDWFX-UHFFFAOYSA-N
MW372.39 g/mol
LogP1.60
Rot. Bonds5

About 3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one

3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one (PubChem CID 126943669) has the molecular formula C17H23F3N4O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is 3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
PubChem CID126943669
Molecular FormulaC17H23F3N4O2
Molecular Weight372.39 g/mol
Exact Mass372.18
IUPAC Name3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
SMILESO=C1CCCN1CCN1CCC(Cn2cnc(C(F)(F)F)cc2=O)CC1
InChIInChI=1S/C17H23F3N4O2/c18-17(19,20)14-10-16(26)24(12-21-14)11-13-3-6-22(7-4-13)8-9-23-5-1-2-15(23)25/h10,12-13H,1-9,11H2
InChIKeyRZAIGJADUWDWFX-UHFFFAOYSA-N
XLogP1.60
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one?
The IUPAC name of 3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one (CID 126943669) is 3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one.
What is the SMILES notation for 3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one?
The canonical SMILES for 3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one is O=C1CCCN1CCN1CCC(Cn2cnc(C(F)(F)F)cc2=O)CC1.
What is the InChIKey of 3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one?
The InChIKey is RZAIGJADUWDWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N4O2/c18-17(19,20)14-10-16(26)24(12-21-14)11-13-3-6-22(7-4-13)8-9-23-5-1-2-15(23)25/h10,12-13H,1-9,11H2.
What are the key properties of 3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one?
3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one has a molecular weight of 372.39 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one is sourced from PubChem (CID 126943669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).