N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide

C25H28ClF3N2O2 — CID 67299681

IUPACN-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)C(NC(=O)Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C25H28ClF3N2O2/c1-16(2)23(30-22(32)15-17-3-7-20(8-4-17)25(27,28)29)24(33)31-13-11-19(12-14-31)18-5-9-21(26)10-6-18/h3-10,16,19,23H,11-15H2,1-2H3,(H,30,32)
InChIKeyGXUNSRNNIBNEBV-UHFFFAOYSA-N
MW480.96 g/mol
LogP5.45
Rot. Bonds6

About N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide

N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 67299681) has the molecular formula C25H28ClF3N2O2 and a molecular weight of 480.96 g/mol. Its IUPAC name is N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID67299681
Molecular FormulaC25H28ClF3N2O2
Molecular Weight480.96 g/mol
Exact Mass480.18
IUPAC NameN-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)C(NC(=O)Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C25H28ClF3N2O2/c1-16(2)23(30-22(32)15-17-3-7-20(8-4-17)25(27,28)29)24(33)31-13-11-19(12-14-31)18-5-9-21(26)10-6-18/h3-10,16,19,23H,11-15H2,1-2H3,(H,30,32)
InChIKeyGXUNSRNNIBNEBV-UHFFFAOYSA-N
XLogP5.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.96
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-amino-3-(4-chloro-2-fluorophenyl)-1-[(3S)-3-fluoropyrrolidin-1-yl]butan-1-one (22)
CID 9972202
1-(4-chlorophenyl)-N-(2-(4-hydroxy-4-(trifluoromethyl)piperidin-1-yl)-3-phenylpropyl)cyclopentane-1-carboxamide
CID 121304823
N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2,2-diphenylacetamide
CID 5082502
(4R,5R)-5-amino-4-(2-chlorophenyl)-1-(cyclohexylmethyl)piperidin-2-one
CID 16204462
(2S,3S)-3-(4-chloro-2-fluorophenyl)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895793
(2S,3S)-3-(4-chlorophenyl)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895803
(2S,3S)-3-[4-(2-chlorophenyl)phenyl]-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895818
(S)-1-((2S,3S)-2-(4-chlorophenyl)-3-(hydroxycarbamoyl)pentanoyl)-N-methylpiperidine-2-carboxamide
CID 11603611
N-[(2R)-3-(4-chlorophenyl)-1-[[4-(dimethylamino)cyclohexyl]amino]-1-oxopropan-2-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 53364234
(2R)-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]propanamide
CID 54584254
N-[(2R)-1-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-(4-chlorophenyl)-1-oxopropan-2-yl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 54586172
(2R)-N-(azepan-4-yl)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]propanamide
CID 56663268

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 67299681) is N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide is CC(C)C(NC(=O)Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is GXUNSRNNIBNEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClF3N2O2/c1-16(2)23(30-22(32)15-17-3-7-20(8-4-17)25(27,28)29)24(33)31-13-11-19(12-14-31)18-5-9-21(26)10-6-18/h3-10,16,19,23H,11-15H2,1-2H3,(H,30,32).
What are the key properties of N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 480.96 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 67299681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).