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

C15H19F3N4O2 — CID 19903229

IUPAC1-[[4-hydroxy-1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC1(O)CCN(c2ccnc(C(F)(F)F)n2)CC1
InChIInChI=1S/C15H19F3N4O2/c16-15(17,18)13-19-6-3-11(20-13)21-8-4-14(24,5-9-21)10-22-7-1-2-12(22)23/h3,6,24H,1-2,4-5,7-10H2
InChIKeySTDSRNJFUJFIQL-UHFFFAOYSA-N
MW344.34 g/mol
LogP1.45
Rot. Bonds3

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

1-[[4-hydroxy-1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one (PubChem CID 19903229) has the molecular formula C15H19F3N4O2 and a molecular weight of 344.34 g/mol. Its IUPAC name is 1-[[4-hydroxy-1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[4-hydroxy-1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one
PubChem CID19903229
Molecular FormulaC15H19F3N4O2
Molecular Weight344.34 g/mol
Exact Mass344.15
IUPAC Name1-[[4-hydroxy-1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC1(O)CCN(c2ccnc(C(F)(F)F)n2)CC1
InChIInChI=1S/C15H19F3N4O2/c16-15(17,18)13-19-6-3-11(20-13)21-8-4-14(24,5-9-21)10-22-7-1-2-12(22)23/h3,6,24H,1-2,4-5,7-10H2
InChIKeySTDSRNJFUJFIQL-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-hydroxy-1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[4-hydroxy-1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one (CID 19903229) is 1-[[4-hydroxy-1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[4-hydroxy-1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[4-hydroxy-1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one is O=C1CCCN1CC1(O)CCN(c2ccnc(C(F)(F)F)n2)CC1.
What is the InChIKey of 1-[[4-hydroxy-1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one?
The InChIKey is STDSRNJFUJFIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O2/c16-15(17,18)13-19-6-3-11(20-13)21-8-4-14(24,5-9-21)10-22-7-1-2-12(22)23/h3,6,24H,1-2,4-5,7-10H2.
What are the key properties of 1-[[4-hydroxy-1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one?
1-[[4-hydroxy-1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one has a molecular weight of 344.34 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-hydroxy-1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 19903229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).