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

C15H19F3N4O2 — CID 19903225

IUPAC3-hydroxy-1-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one
SMILESO=C1C(O)CCN1CC1CCN(c2ccnc(C(F)(F)F)n2)CC1
InChIInChI=1S/C15H19F3N4O2/c16-15(17,18)14-19-5-1-12(20-14)21-6-2-10(3-7-21)9-22-8-4-11(23)13(22)24/h1,5,10-11,23H,2-4,6-9H2
InChIKeyGXBXMQYMOHOHAK-UHFFFAOYSA-N
MW344.34 g/mol
LogP1.30
Rot. Bonds3

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

3-hydroxy-1-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one (PubChem CID 19903225) has the molecular formula C15H19F3N4O2 and a molecular weight of 344.34 g/mol. Its IUPAC name is 3-hydroxy-1-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-hydroxy-1-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one
PubChem CID19903225
Molecular FormulaC15H19F3N4O2
Molecular Weight344.34 g/mol
Exact Mass344.15
IUPAC Name3-hydroxy-1-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one
SMILESO=C1C(O)CCN1CC1CCN(c2ccnc(C(F)(F)F)n2)CC1
InChIInChI=1S/C15H19F3N4O2/c16-15(17,18)14-19-5-1-12(20-14)21-6-2-10(3-7-21)9-22-8-4-11(23)13(22)24/h1,5,10-11,23H,2-4,6-9H2
InChIKeyGXBXMQYMOHOHAK-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 3-hydroxy-1-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one (CID 19903225) is 3-hydroxy-1-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 3-hydroxy-1-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 3-hydroxy-1-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one is O=C1C(O)CCN1CC1CCN(c2ccnc(C(F)(F)F)n2)CC1.
What is the InChIKey of 3-hydroxy-1-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one?
The InChIKey is GXBXMQYMOHOHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O2/c16-15(17,18)14-19-5-1-12(20-14)21-6-2-10(3-7-21)9-22-8-4-11(23)13(22)24/h1,5,10-11,23H,2-4,6-9H2.
What are the key properties of 3-hydroxy-1-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one?
3-hydroxy-1-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one has a molecular weight of 344.34 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 19903225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).