1-benzyl-3-hydroxy-4-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-one

C18H19F3N2O2 — CID 162561019

IUPAC1-benzyl-3-hydroxy-4-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-one
SMILESO=c1c(O)c(CN2CCCC2C(F)(F)F)ccn1Cc1ccccc1
InChIInChI=1S/C18H19F3N2O2/c19-18(20,21)15-7-4-9-22(15)12-14-8-10-23(17(25)16(14)24)11-13-5-2-1-3-6-13/h1-3,5-6,8,10,15,24H,4,7,9,11-12H2
InChIKeyRRAHJXHIAUBTEL-UHFFFAOYSA-N
MW352.36 g/mol
LogP3.13
Rot. Bonds4

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

1-benzyl-3-hydroxy-4-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-one (PubChem CID 162561019) has the molecular formula C18H19F3N2O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 1-benzyl-3-hydroxy-4-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-benzyl-3-hydroxy-4-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-one
PubChem CID162561019
Molecular FormulaC18H19F3N2O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Name1-benzyl-3-hydroxy-4-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-one
SMILESO=c1c(O)c(CN2CCCC2C(F)(F)F)ccn1Cc1ccccc1
InChIInChI=1S/C18H19F3N2O2/c19-18(20,21)15-7-4-9-22(15)12-14-8-10-23(17(25)16(14)24)11-13-5-2-1-3-6-13/h1-3,5-6,8,10,15,24H,4,7,9,11-12H2
InChIKeyRRAHJXHIAUBTEL-UHFFFAOYSA-N
XLogP3.13
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-3-hydroxy-4-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-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

Related Compounds

4-(aminomethyl)-1-benzyl-3-hydroxypyridin-2-one
CID 58252389
4-(azepan-4-ylmethyl)-1-benzyl-3-hydroxypyridin-2-one
CID 141088427
(2S,3S)-3-amino-4-phenyl-1-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]butan-2-ol;dihydrochloride
CID 86748768
1-benzyl-3-hydroxy-4-[[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methyl]pyridin-2-one
CID 58252605
2-(1-benzylpiperidin-2-yl)-1,1,1-trifluoropropan-2-ol
CID 83982308
1-benzyl-3-hydroxy-4-(4-methoxybutyl)pyridin-2-one
CID 158247529
4-fluoro-2,6-bis[[(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]methyl]phenol
CID 102270483
1-[(3-chlorophenyl)methyl]-4-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxypyridin-2-one
CID 67193433
2-[[2-[hydroxy-bis[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-yl]methyl]-6-(trifluoromethyl)phenol
CID 155896652
lithium [(2S)-1-benzylpyrrolidin-2-yl]-diphenylmethanolate
CID 102371983
2-[[2-(trifluoromethyl)-1,4-diazepan-1-yl]methyl]phenol
CID 115101714
2-[(2S)-1-benzylpyrrolidin-2-yl]-3-ethoxybut-3-en-2-ol
CID 15720197

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-hydroxy-4-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-one?
The IUPAC name of 1-benzyl-3-hydroxy-4-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-one (CID 162561019) is 1-benzyl-3-hydroxy-4-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-one.
What is the SMILES notation for 1-benzyl-3-hydroxy-4-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-one?
The canonical SMILES for 1-benzyl-3-hydroxy-4-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-one is O=c1c(O)c(CN2CCCC2C(F)(F)F)ccn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-hydroxy-4-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-one?
The InChIKey is RRAHJXHIAUBTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2/c19-18(20,21)15-7-4-9-22(15)12-14-8-10-23(17(25)16(14)24)11-13-5-2-1-3-6-13/h1-3,5-6,8,10,15,24H,4,7,9,11-12H2.
What are the key properties of 1-benzyl-3-hydroxy-4-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-one?
1-benzyl-3-hydroxy-4-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-one has a molecular weight of 352.36 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-hydroxy-4-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-one is sourced from PubChem (CID 162561019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).