2-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide

C24H27ClF3N3O2 — CID 16555174

IUPAC2-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C24H27ClF3N3O2/c1-30(15-22(32)29-19-7-8-21(25)20(14-19)24(26,27)28)16-23(33)31-11-9-18(10-12-31)13-17-5-3-2-4-6-17/h2-8,14,18H,9-13,15-16H2,1H3,(H,29,32)
InChIKeyVZFGGXWJGNJGLO-UHFFFAOYSA-N
MW481.95 g/mol
LogP4.71
Rot. Bonds7

About 2-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide

2-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 16555174) has the molecular formula C24H27ClF3N3O2 and a molecular weight of 481.95 g/mol. Its IUPAC name is 2-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
PubChem CID16555174
Molecular FormulaC24H27ClF3N3O2
Molecular Weight481.95 g/mol
Exact Mass481.17
IUPAC Name2-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C24H27ClF3N3O2/c1-30(15-22(32)29-19-7-8-21(25)20(14-19)24(26,27)28)16-23(33)31-11-9-18(10-12-31)13-17-5-3-2-4-6-17/h2-8,14,18H,9-13,15-16H2,1H3,(H,29,32)
InChIKeyVZFGGXWJGNJGLO-UHFFFAOYSA-N
XLogP4.71
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.95
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide with MolForge

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 8711413
2-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8729179
2-[benzylsulfonyl(methyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 26528259
N-(3,4-dichlorophenyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide
CID 27252298
2-[benzyl(propan-2-yl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 109005704
N-(2-chlorophenyl)-3-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]propanamide
CID 38354927
2-[(2-amino-2-methylpropyl)-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 120847415
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[cyanomethyl(methyl)amino]acetamide
CID 38353746
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylcyclopentanecarboxamide
CID 16546535
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 27217285
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 9333443
1-(4-benzylpiperidin-1-yl)-2-(N-methylanilino)ethanone
CID 23294466

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide (CID 16555174) is 2-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide is CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CC(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 2-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is VZFGGXWJGNJGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClF3N3O2/c1-30(15-22(32)29-19-7-8-21(25)20(14-19)24(26,27)28)16-23(33)31-11-9-18(10-12-31)13-17-5-3-2-4-6-17/h2-8,14,18H,9-13,15-16H2,1H3,(H,29,32).
What are the key properties of 2-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
2-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 481.95 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 16555174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).