5-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]piperidin-2-one

C13H14F4N2O — CID 115282854

IUPAC5-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]piperidin-2-one
SMILESO=C1CCC(NCc2cc(F)cc(C(F)(F)F)c2)CN1
InChIInChI=1S/C13H14F4N2O/c14-10-4-8(3-9(5-10)13(15,16)17)6-18-11-1-2-12(20)19-7-11/h3-5,11,18H,1-2,6-7H2,(H,19,20)
InChIKeyWMTJFMKGJYFVGS-UHFFFAOYSA-N
MW290.26 g/mol
LogP2.21
Rot. Bonds3

About 5-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]piperidin-2-one

5-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]piperidin-2-one (PubChem CID 115282854) has the molecular formula C13H14F4N2O and a molecular weight of 290.26 g/mol. Its IUPAC name is 5-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]piperidin-2-one.

Molecular Properties

Compound Name5-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]piperidin-2-one
PubChem CID115282854
Molecular FormulaC13H14F4N2O
Molecular Weight290.26 g/mol
Exact Mass290.10
IUPAC Name5-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]piperidin-2-one
SMILESO=C1CCC(NCc2cc(F)cc(C(F)(F)F)c2)CN1
InChIInChI=1S/C13H14F4N2O/c14-10-4-8(3-9(5-10)13(15,16)17)6-18-11-1-2-12(20)19-7-11/h3-5,11,18H,1-2,6-7H2,(H,19,20)
InChIKeyWMTJFMKGJYFVGS-UHFFFAOYSA-N
XLogP2.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.26
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]cyclohexan-1-ol
CID 103845476
5-[(3-fluoro-4-methylphenyl)methylamino]piperidin-2-one
CID 63661374
5-(pyridin-4-ylmethylamino)piperidin-2-one
CID 63378640
4-[(5-fluoro-3-pyridinyl)methylamino]pyrrolidin-2-one
CID 106189605
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methylcycloheptan-1-amine
CID 115350673
5-[(2,4-dihydroxyphenyl)methylamino]piperidin-2-one
CID 63378589
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 115282910
5-(1H-indol-5-ylmethylamino)piperidin-2-one
CID 102910919
4-fluoro-3-[[(6-oxopiperidin-3-yl)amino]methyl]benzonitrile
CID 55244902
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 115350227
5-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]piperidin-2-one
CID 63378779
(5S)-5-(ethylamino)piperidin-2-one
CID 89165627

Frequently Asked Questions

What is the IUPAC name of 5-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]piperidin-2-one?
The IUPAC name of 5-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]piperidin-2-one (CID 115282854) is 5-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]piperidin-2-one.
What is the SMILES notation for 5-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]piperidin-2-one?
The canonical SMILES for 5-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]piperidin-2-one is O=C1CCC(NCc2cc(F)cc(C(F)(F)F)c2)CN1.
What is the InChIKey of 5-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]piperidin-2-one?
The InChIKey is WMTJFMKGJYFVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F4N2O/c14-10-4-8(3-9(5-10)13(15,16)17)6-18-11-1-2-12(20)19-7-11/h3-5,11,18H,1-2,6-7H2,(H,19,20).
What are the key properties of 5-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]piperidin-2-one?
5-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]piperidin-2-one has a molecular weight of 290.26 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]piperidin-2-one is sourced from PubChem (CID 115282854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).