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

C15H19F3N4O2 — CID 19903216

IUPAC1-[[1-[5-hydroxy-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC1CCN(c2nc(C(F)(F)F)ncc2O)CC1
InChIInChI=1S/C15H19F3N4O2/c16-15(17,18)14-19-8-11(23)13(20-14)21-6-3-10(4-7-21)9-22-5-1-2-12(22)24/h8,10,23H,1-7,9H2
InChIKeyQKJSDNVTHYWHHP-UHFFFAOYSA-N
MW344.34 g/mol
LogP2.04
Rot. Bonds3

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

1-[[1-[5-hydroxy-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one (PubChem CID 19903216) has the molecular formula C15H19F3N4O2 and a molecular weight of 344.34 g/mol. Its IUPAC name is 1-[[1-[5-hydroxy-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[1-[5-hydroxy-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one
PubChem CID19903216
Molecular FormulaC15H19F3N4O2
Molecular Weight344.34 g/mol
Exact Mass344.15
IUPAC Name1-[[1-[5-hydroxy-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC1CCN(c2nc(C(F)(F)F)ncc2O)CC1
InChIInChI=1S/C15H19F3N4O2/c16-15(17,18)14-19-8-11(23)13(20-14)21-6-3-10(4-7-21)9-22-5-1-2-12(22)24/h8,10,23H,1-7,9H2
InChIKeyQKJSDNVTHYWHHP-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

Bmy 21502
CID 129930
1-[[1-[2-(Trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidine-2,5-dione
CID 9927990
1-[[1-[5-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one
CID 14554114
1-[[1-[2-(Trifluoromethyl)-4-pyrimidinyl]-4-piperidinyl]methyl]-2,5-pyrrolidinedione hydrate
CID 19903217
4-Hydroxy-1-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one
CID 19903222
3-Hydroxy-1-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one
CID 19903225
1-[[4-Hydroxy-1-[2-(trifluoromethyl)-4-pyrimidinyl]-4-piperidinyl]methyl]-2-pyrrolidinone
CID 19903229
3,3-Dihydroxy-1-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one
CID 53790543
2-[4-(Trifluoromethyl)piperidin-1-yl]pyrimidin-5-ol
CID 151575630
(3-Hydroxypyrrolidin-1-yl)-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone
CID 167472055
4-(Fluoromethyl)-1-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-one
CID 126899912
2-[4-(4,4-Difluoropiperidine-1-carbonyl)piperidin-1-yl]-5-methoxypyrimidine
CID 155975857

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[5-hydroxy-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[1-[5-hydroxy-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one (CID 19903216) is 1-[[1-[5-hydroxy-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[1-[5-hydroxy-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[1-[5-hydroxy-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one is O=C1CCCN1CC1CCN(c2nc(C(F)(F)F)ncc2O)CC1.
What is the InChIKey of 1-[[1-[5-hydroxy-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one?
The InChIKey is QKJSDNVTHYWHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O2/c16-15(17,18)14-19-8-11(23)13(20-14)21-6-3-10(4-7-21)9-22-5-1-2-12(22)24/h8,10,23H,1-7,9H2.
What are the key properties of 1-[[1-[5-hydroxy-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one?
1-[[1-[5-hydroxy-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one has a molecular weight of 344.34 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[5-hydroxy-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 19903216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).