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

C21H23F3N2O — CID 10883323

IUPAC2-phenyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
SMILESO=C(Cc1ccccc1)NC1CCN(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C21H23F3N2O/c22-21(23,24)18-8-6-17(7-9-18)15-26-12-10-19(11-13-26)25-20(27)14-16-4-2-1-3-5-16/h1-9,19H,10-15H2,(H,25,27)
InChIKeyWNRYXANMWGNNGK-UHFFFAOYSA-N
MW376.42 g/mol
LogP4.03
Rot. Bonds5

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

2-phenyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide (PubChem CID 10883323) has the molecular formula C21H23F3N2O and a molecular weight of 376.42 g/mol. Its IUPAC name is 2-phenyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
PubChem CID10883323
Molecular FormulaC21H23F3N2O
Molecular Weight376.42 g/mol
Exact Mass376.18
IUPAC Name2-phenyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
SMILESO=C(Cc1ccccc1)NC1CCN(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C21H23F3N2O/c22-21(23,24)18-8-6-17(7-9-18)15-26-12-10-19(11-13-26)25-20(27)14-16-4-2-1-3-5-16/h1-9,19H,10-15H2,(H,25,27)
InChIKeyWNRYXANMWGNNGK-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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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-phenyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide (CID 10883323) is 2-phenyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-phenyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-phenyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide is O=C(Cc1ccccc1)NC1CCN(Cc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 2-phenyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide?
The InChIKey is WNRYXANMWGNNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O/c22-21(23,24)18-8-6-17(7-9-18)15-26-12-10-19(11-13-26)25-20(27)14-16-4-2-1-3-5-16/h1-9,19H,10-15H2,(H,25,27).
What are the key properties of 2-phenyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide?
2-phenyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]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 2-phenyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 10883323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).