3-amino-5-benzyl-6-methyl-1-(2,2,2-trifluoroethyl)piperidin-2-one

C15H19F3N2O — CID 123559895

IUPAC3-amino-5-benzyl-6-methyl-1-(2,2,2-trifluoroethyl)piperidin-2-one
SMILESCC1C(Cc2ccccc2)CC(N)C(=O)N1CC(F)(F)F
InChIInChI=1S/C15H19F3N2O/c1-10-12(7-11-5-3-2-4-6-11)8-13(19)14(21)20(10)9-15(16,17)18/h2-6,10,12-13H,7-9,19H2,1H3
InChIKeyDFNYYMOZKUFOCU-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.36
Rot. Bonds3

About 3-amino-5-benzyl-6-methyl-1-(2,2,2-trifluoroethyl)piperidin-2-one

3-amino-5-benzyl-6-methyl-1-(2,2,2-trifluoroethyl)piperidin-2-one (PubChem CID 123559895) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 3-amino-5-benzyl-6-methyl-1-(2,2,2-trifluoroethyl)piperidin-2-one.

Molecular Properties

Compound Name3-amino-5-benzyl-6-methyl-1-(2,2,2-trifluoroethyl)piperidin-2-one
PubChem CID123559895
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name3-amino-5-benzyl-6-methyl-1-(2,2,2-trifluoroethyl)piperidin-2-one
SMILESCC1C(Cc2ccccc2)CC(N)C(=O)N1CC(F)(F)F
InChIInChI=1S/C15H19F3N2O/c1-10-12(7-11-5-3-2-4-6-11)8-13(19)14(21)20(10)9-15(16,17)18/h2-6,10,12-13H,7-9,19H2,1H3
InChIKeyDFNYYMOZKUFOCU-UHFFFAOYSA-N
XLogP2.36
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-amino-5-benzyl-6-methyl-1-(2,2,2-trifluoroethyl)piperidin-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

(3S,5S,6R)-3-amino-5-(2-fluoro-3-methylphenyl)-6-methyl-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 68748739
(6R)-6-benzyl-3-methylidene-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione
CID 101467534
[(5S,6R)-6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-(2,2,2-trifluoroethyl)carbamic acid
CID 118023457
(5S,6R)-3,6-dimethyl-1-(2,2,2-trifluoroethyl)-5-(2,3,6-trifluorophenyl)piperidin-2-one
CID 118030707
(3S,6S)-3-benzyl-6-[(4-hydroxyphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione
CID 101384309
cis-(1R,2S)-2-benzylcyclopropane-1-carboxylic acid
CID 10487497
(3S,5S,6R)-6-methyl-3-nitroso-1-(2,2,2-trifluoroethyl)-5-(2,3,6-trifluorophenyl)piperidin-2-one
CID 134491121
4-benzyl-3-methyloxolan-2-one
CID 86193814
tert-butyl-[(3R,5R,6S)-6-methyl-2-oxo-1-(2,2,2-trifluoroethyl)-5-(2,3,6-trifluorophenyl)piperidin-3-yl]carbamic acid
CID 87560603
5-benzyl-2-methyl-3-(2-methylcyclopropyl)imidazolidin-4-one
CID 83254666
6-methyl-3-(methylamino)-1-(2,2,2-trifluoroethyl)-5-(2,3,6-trifluorophenyl)piperidin-2-one
CID 175630064
(2-benzylcyclopropyl)methanamine
CID 56605942

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-benzyl-6-methyl-1-(2,2,2-trifluoroethyl)piperidin-2-one?
The IUPAC name of 3-amino-5-benzyl-6-methyl-1-(2,2,2-trifluoroethyl)piperidin-2-one (CID 123559895) is 3-amino-5-benzyl-6-methyl-1-(2,2,2-trifluoroethyl)piperidin-2-one.
What is the SMILES notation for 3-amino-5-benzyl-6-methyl-1-(2,2,2-trifluoroethyl)piperidin-2-one?
The canonical SMILES for 3-amino-5-benzyl-6-methyl-1-(2,2,2-trifluoroethyl)piperidin-2-one is CC1C(Cc2ccccc2)CC(N)C(=O)N1CC(F)(F)F.
What is the InChIKey of 3-amino-5-benzyl-6-methyl-1-(2,2,2-trifluoroethyl)piperidin-2-one?
The InChIKey is DFNYYMOZKUFOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-10-12(7-11-5-3-2-4-6-11)8-13(19)14(21)20(10)9-15(16,17)18/h2-6,10,12-13H,7-9,19H2,1H3.
What are the key properties of 3-amino-5-benzyl-6-methyl-1-(2,2,2-trifluoroethyl)piperidin-2-one?
3-amino-5-benzyl-6-methyl-1-(2,2,2-trifluoroethyl)piperidin-2-one has a molecular weight of 300.32 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-benzyl-6-methyl-1-(2,2,2-trifluoroethyl)piperidin-2-one is sourced from PubChem (CID 123559895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).