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

C15H19F3N4O2 — CID 19903219

IUPAC5-hydroxy-1-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCC(O)N1CC1CCCN(c2ccnc(C(F)(F)F)n2)C1
InChIInChI=1S/C15H19F3N4O2/c16-15(17,18)14-19-6-5-11(20-14)21-7-1-2-10(8-21)9-22-12(23)3-4-13(22)24/h5-6,10,12,23H,1-4,7-9H2
InChIKeyNVSXGRAAKYYFRZ-UHFFFAOYSA-N
MW344.34 g/mol
LogP1.65
Rot. Bonds3

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

5-hydroxy-1-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methyl]pyrrolidin-2-one (PubChem CID 19903219) has the molecular formula C15H19F3N4O2 and a molecular weight of 344.34 g/mol. Its IUPAC name is 5-hydroxy-1-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-hydroxy-1-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methyl]pyrrolidin-2-one
PubChem CID19903219
Molecular FormulaC15H19F3N4O2
Molecular Weight344.34 g/mol
Exact Mass344.15
IUPAC Name5-hydroxy-1-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCC(O)N1CC1CCCN(c2ccnc(C(F)(F)F)n2)C1
InChIInChI=1S/C15H19F3N4O2/c16-15(17,18)14-19-6-5-11(20-14)21-7-1-2-10(8-21)9-22-12(23)3-4-13(22)24/h5-6,10,12,23H,1-4,7-9H2
InChIKeyNVSXGRAAKYYFRZ-UHFFFAOYSA-N
XLogP1.65
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-hydroxy-1-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methyl]pyrrolidin-2-one 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 5-hydroxy-1-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 5-hydroxy-1-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methyl]pyrrolidin-2-one (CID 19903219) is 5-hydroxy-1-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-hydroxy-1-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-hydroxy-1-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methyl]pyrrolidin-2-one is O=C1CCC(O)N1CC1CCCN(c2ccnc(C(F)(F)F)n2)C1.
What is the InChIKey of 5-hydroxy-1-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methyl]pyrrolidin-2-one?
The InChIKey is NVSXGRAAKYYFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O2/c16-15(17,18)14-19-6-5-11(20-14)21-7-1-2-10(8-21)9-22-12(23)3-4-13(22)24/h5-6,10,12,23H,1-4,7-9H2.
What are the key properties of 5-hydroxy-1-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methyl]pyrrolidin-2-one?
5-hydroxy-1-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methyl]pyrrolidin-2-one has a molecular weight of 344.34 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 19903219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).