4-[1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1-methylpyridin-2-one

C19H20F4N2O — CID 138384991

IUPAC4-[1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1-methylpyridin-2-one
SMILESCn1ccc(C2CCN(Cc3ccc(C(F)(F)F)c(F)c3)CC2)cc1=O
InChIInChI=1S/C19H20F4N2O/c1-24-7-4-15(11-18(24)26)14-5-8-25(9-6-14)12-13-2-3-16(17(20)10-13)19(21,22)23/h2-4,7,10-11,14H,5-6,8-9,12H2,1H3
InChIKeyHGKPJHLNIPPHTK-UHFFFAOYSA-N
MW368.37 g/mol
LogP3.92
Rot. Bonds3

About 4-[1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1-methylpyridin-2-one

4-[1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1-methylpyridin-2-one (PubChem CID 138384991) has the molecular formula C19H20F4N2O and a molecular weight of 368.37 g/mol. Its IUPAC name is 4-[1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1-methylpyridin-2-one
PubChem CID138384991
Molecular FormulaC19H20F4N2O
Molecular Weight368.37 g/mol
Exact Mass368.15
IUPAC Name4-[1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1-methylpyridin-2-one
SMILESCn1ccc(C2CCN(Cc3ccc(C(F)(F)F)c(F)c3)CC2)cc1=O
InChIInChI=1S/C19H20F4N2O/c1-24-7-4-15(11-18(24)26)14-5-8-25(9-6-14)12-13-2-3-16(17(20)10-13)19(21,22)23/h2-4,7,10-11,14H,5-6,8-9,12H2,1H3
InChIKeyHGKPJHLNIPPHTK-UHFFFAOYSA-N
XLogP3.92
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 138378268
1-methyl-4-[1-[(2,3,6-trifluorophenyl)methyl]piperidin-4-yl]pyridin-2-one
CID 138386123
4-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 138385563
4-[1-[(4-fluoro-2-methoxyphenyl)methyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 138384179
(1R,5S)-3-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-6-propyl-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133130257
1-methyl-4-[1-(4,4,4-trifluorobutan-2-yl)piperidin-4-yl]pyridin-2-one
CID 138387811
4-[1-[[5-[(E)-C-(3,4-difluorophenyl)-N-ethoxycarbonimidoyl]-2-pyridinyl]methyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 25253401
4-[[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methyl]-1-methylpyridin-2-one
CID 75461791
4-[1-[1-(furan-2-ylmethyl)piperidin-4-yl]piperidin-4-yl]-1-methylpyridin-2-one
CID 138380022
4-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 138383113
4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1-methylpyridin-2-one
CID 75461517
1-methyl-4-[[3-(trifluoromethyl)azetidin-1-yl]methyl]pyridin-2-one
CID 171994631

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1-methylpyridin-2-one?
The IUPAC name of 4-[1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1-methylpyridin-2-one (CID 138384991) is 4-[1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1-methylpyridin-2-one is Cn1ccc(C2CCN(Cc3ccc(C(F)(F)F)c(F)c3)CC2)cc1=O.
What is the InChIKey of 4-[1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1-methylpyridin-2-one?
The InChIKey is HGKPJHLNIPPHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F4N2O/c1-24-7-4-15(11-18(24)26)14-5-8-25(9-6-14)12-13-2-3-16(17(20)10-13)19(21,22)23/h2-4,7,10-11,14H,5-6,8-9,12H2,1H3.
What are the key properties of 4-[1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1-methylpyridin-2-one?
4-[1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1-methylpyridin-2-one has a molecular weight of 368.37 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 138384991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).