N-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]acetamide

C21H23F3N2O — CID 11793930

IUPACN-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccccc1C(F)(F)F)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H23F3N2O/c22-21(23,24)19-9-5-4-8-17(19)14-20(27)25-18-10-12-26(13-11-18)15-16-6-2-1-3-7-16/h1-9,18H,10-15H2,(H,25,27)
InChIKeyAGVKHFDPCQYGEZ-UHFFFAOYSA-N
MW376.42 g/mol
LogP4.03
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]acetamide

N-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 11793930) has the molecular formula C21H23F3N2O and a molecular weight of 376.42 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID11793930
Molecular FormulaC21H23F3N2O
Molecular Weight376.42 g/mol
Exact Mass376.18
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccccc1C(F)(F)F)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H23F3N2O/c22-21(23,24)19-9-5-4-8-17(19)14-20(27)25-18-10-12-26(13-11-18)15-16-6-2-1-3-7-16/h1-9,18H,10-15H2,(H,25,27)
InChIKeyAGVKHFDPCQYGEZ-UHFFFAOYSA-N
XLogP4.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
CID 22247923
1-benzyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 55378502
2-phenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 10948807
N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
CID 836236
N-(1-benzylpiperidin-4-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 46488361
N-(oxan-4-yl)-2-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 165431842
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
N'-(1-benzylpiperidin-4-yl)butanediamide
CID 151114474
N-(1-benzylpiperidin-4-yl)-2-cyanoacetamide
CID 22689014
N-[1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidin-4-yl]-3-phenylpropanamide
CID 55738569
2-(2-hydroxyphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 134813153
1-(1-benzylpiperidin-4-yl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 48953524

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]acetamide (CID 11793930) is N-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]acetamide is O=C(Cc1ccccc1C(F)(F)F)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is AGVKHFDPCQYGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O/c22-21(23,24)19-9-5-4-8-17(19)14-20(27)25-18-10-12-26(13-11-18)15-16-6-2-1-3-7-16/h1-9,18H,10-15H2,(H,25,27).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]acetamide?
N-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 376.42 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 11793930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).