(3R)-3-[[benzyl(methyl)amino]methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidin-2-one

C22H27FN2O3 — CID 95205000

IUPAC(3R)-3-[[benzyl(methyl)amino]methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidin-2-one
SMILESCOc1ccc(F)c(CN2CCC[C@@](O)(CN(C)Cc3ccccc3)C2=O)c1
InChIInChI=1S/C22H27FN2O3/c1-24(14-17-7-4-3-5-8-17)16-22(27)11-6-12-25(21(22)26)15-18-13-19(28-2)9-10-20(18)23/h3-5,7-10,13,27H,6,11-12,14-16H2,1-2H3/t22-/m1/s1
InChIKeyOWUDEYCSVAHZAN-JOCHJYFZSA-N
MW386.47 g/mol
LogP2.82
Rot. Bonds7

About (3R)-3-[[benzyl(methyl)amino]methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidin-2-one

(3R)-3-[[benzyl(methyl)amino]methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidin-2-one (PubChem CID 95205000) has the molecular formula C22H27FN2O3 and a molecular weight of 386.47 g/mol. Its IUPAC name is (3R)-3-[[benzyl(methyl)amino]methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidin-2-one.

Molecular Properties

Compound Name(3R)-3-[[benzyl(methyl)amino]methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidin-2-one
PubChem CID95205000
Molecular FormulaC22H27FN2O3
Molecular Weight386.47 g/mol
Exact Mass386.20
IUPAC Name(3R)-3-[[benzyl(methyl)amino]methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidin-2-one
SMILESCOc1ccc(F)c(CN2CCC[C@@](O)(CN(C)Cc3ccccc3)C2=O)c1
InChIInChI=1S/C22H27FN2O3/c1-24(14-17-7-4-3-5-8-17)16-22(27)11-6-12-25(21(22)26)15-18-13-19(28-2)9-10-20(18)23/h3-5,7-10,13,27H,6,11-12,14-16H2,1-2H3/t22-/m1/s1
InChIKeyOWUDEYCSVAHZAN-JOCHJYFZSA-N
XLogP2.82
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-3-[[benzyl(methyl)amino]methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidin-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

1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]piperidin-2-one
CID 56759576
(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[[methyl(2-methylpropyl)amino]methyl]piperidin-2-one
CID 95230587
(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[[3-hydroxypropyl(methyl)amino]methyl]piperidin-2-one
CID 95217289
1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[[methyl(3-methylbutyl)amino]methyl]piperidin-2-one
CID 56760666
(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]piperidin-2-one
CID 95191384
2-[[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methyl-methylamino]-N-methylacetamide
CID 95193525
(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[(2-phenylethylamino)methyl]piperidin-2-one
CID 95553831
(3R)-3-[[ethyl(methyl)amino]methyl]-3-hydroxy-1-[(3-methoxyphenyl)methyl]piperidin-2-one
CID 42288084
3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidin-2-one
CID 45227459
(3R)-3-[(cyclobutylamino)methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidin-2-one
CID 26398177
1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[[[1-(hydroxymethyl)cyclobutyl]methylamino]methyl]piperidin-2-one
CID 56752510
3-[(cyclohexylamino)methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidin-2-one
CID 45236045

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[benzyl(methyl)amino]methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidin-2-one?
The IUPAC name of (3R)-3-[[benzyl(methyl)amino]methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidin-2-one (CID 95205000) is (3R)-3-[[benzyl(methyl)amino]methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidin-2-one.
What is the SMILES notation for (3R)-3-[[benzyl(methyl)amino]methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidin-2-one?
The canonical SMILES for (3R)-3-[[benzyl(methyl)amino]methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidin-2-one is COc1ccc(F)c(CN2CCC[C@@](O)(CN(C)Cc3ccccc3)C2=O)c1.
What is the InChIKey of (3R)-3-[[benzyl(methyl)amino]methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidin-2-one?
The InChIKey is OWUDEYCSVAHZAN-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H27FN2O3/c1-24(14-17-7-4-3-5-8-17)16-22(27)11-6-12-25(21(22)26)15-18-13-19(28-2)9-10-20(18)23/h3-5,7-10,13,27H,6,11-12,14-16H2,1-2H3/t22-/m1/s1.
What are the key properties of (3R)-3-[[benzyl(methyl)amino]methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidin-2-one?
(3R)-3-[[benzyl(methyl)amino]methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidin-2-one has a molecular weight of 386.47 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[benzyl(methyl)amino]methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidin-2-one is sourced from PubChem (CID 95205000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).