2,2,2-trifluoro-N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]acetamide

C18H24F4N2O — CID 142459335

IUPAC2,2,2-trifluoro-N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]acetamide
SMILESCC(C)(Cc1cccc(F)c1)N1CCC(CNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C18H24F4N2O/c1-17(2,11-14-4-3-5-15(19)10-14)24-8-6-13(7-9-24)12-23-16(25)18(20,21)22/h3-5,10,13H,6-9,11-12H2,1-2H3,(H,23,25)
InChIKeyIOMFSUVYQNDFBO-UHFFFAOYSA-N
MW360.40 g/mol
LogP3.54
Rot. Bonds5

About 2,2,2-trifluoro-N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]acetamide

2,2,2-trifluoro-N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]acetamide (PubChem CID 142459335) has the molecular formula C18H24F4N2O and a molecular weight of 360.40 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]acetamide
PubChem CID142459335
Molecular FormulaC18H24F4N2O
Molecular Weight360.40 g/mol
Exact Mass360.18
IUPAC Name2,2,2-trifluoro-N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]acetamide
SMILESCC(C)(Cc1cccc(F)c1)N1CCC(CNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C18H24F4N2O/c1-17(2,11-14-4-3-5-15(19)10-14)24-8-6-13(7-9-24)12-23-16(25)18(20,21)22/h3-5,10,13H,6-9,11-12H2,1-2H3,(H,23,25)
InChIKeyIOMFSUVYQNDFBO-UHFFFAOYSA-N
XLogP3.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2,2-trifluoro-N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]acetamide with MolForge

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Related Compounds

1-[4-[(4-Fluorophenyl)methyl]piperidin-1-yl]ethanone
CID 21133880
N-(1-benzyl-2-phenylethyl)acetamide
CID 744355
N-Phenethyl-N'-(2,2,6,6-tetramethyl-piperidin-4-yl)-oxalamide
CID 1875372
4,4,4-trifluoro-N-({1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl}methyl)-N-methylbutanamide
CID 23723278
1-(1-Acetylpiperidin-4-yl)-3-[4-(3,5-difluorophenyl)cyclohexyl]-1-methylurea
CID 10293988
(E)-3-(3,5-difluorophenyl)-N-(3-((4-(3,4-difluorophenyl)piperidin-1-yl)methyl)cyclopentyl)acrylamide
CID 44444114
(R)-tert-butyl 4-(1-amino-2-(2,4,5-trifluorophenyl)ethyl)piperidine-1-carboxylate
CID 44592508
2-[[2-[4-[5-Fluoro-2-(trifluoromethyl)phenyl]phenyl]cyclopropyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 57397741
1-(4-methylpiperazin-1-yl)-2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethanone
CID 67379019
CID 76313916
CID 76313916
2,2,2-Trifluoro-N-(2-phenylethyl)acetamide
CID 278884
Acetamide, N-(alpha-methyl-m-trifluoromethylphenethyl)-
CID 38514

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]acetamide (CID 142459335) is 2,2,2-trifluoro-N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]acetamide is CC(C)(Cc1cccc(F)c1)N1CCC(CNC(=O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]acetamide?
The InChIKey is IOMFSUVYQNDFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F4N2O/c1-17(2,11-14-4-3-5-15(19)10-14)24-8-6-13(7-9-24)12-23-16(25)18(20,21)22/h3-5,10,13H,6-9,11-12H2,1-2H3,(H,23,25).
What are the key properties of 2,2,2-trifluoro-N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]acetamide?
2,2,2-trifluoro-N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]acetamide has a molecular weight of 360.40 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[1-[1-(3-fluorophenyl)-2-methylpropan-2-yl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 142459335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).