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

C23H27F3N2O2 — CID 154755930

IUPAC2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(CCC2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)cc1
InChIInChI=1S/C23H27F3N2O2/c1-30-19-10-8-17(9-11-19)6-7-18-12-14-28(15-13-18)16-22(29)27-21-5-3-2-4-20(21)23(24,25)26/h2-5,8-11,18H,6-7,12-16H2,1H3,(H,27,29)
InChIKeyYSIZLRUZGGEDPC-UHFFFAOYSA-N
MW420.48 g/mol
LogP5.00
Rot. Bonds7

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

2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 154755930) has the molecular formula C23H27F3N2O2 and a molecular weight of 420.48 g/mol. Its IUPAC name is 2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID154755930
Molecular FormulaC23H27F3N2O2
Molecular Weight420.48 g/mol
Exact Mass420.20
IUPAC Name2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(CCC2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)cc1
InChIInChI=1S/C23H27F3N2O2/c1-30-19-10-8-17(9-11-19)6-7-18-12-14-28(15-13-18)16-22(29)27-21-5-3-2-4-20(21)23(24,25)26/h2-5,8-11,18H,6-7,12-16H2,1H3,(H,27,29)
InChIKeyYSIZLRUZGGEDPC-UHFFFAOYSA-N
XLogP5.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 42927404
2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3674696
2-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 668862
2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 17486362
2-[2-(4-methoxyphenyl)ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3226692
2-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-N-(2-propoxyphenyl)acetamide
CID 18226789
2-[4-[3-(3,5-dimethoxyphenyl)propanoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 27849605
N-[1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidin-4-yl]-3-phenylpropanamide
CID 55738569
2-(3-fluoropyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 171327625
2-(4-benzylpiperidin-1-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 2573036
2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8583773
2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9429545

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 154755930) is 2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is COc1ccc(CCC2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)cc1.
What is the InChIKey of 2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YSIZLRUZGGEDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N2O2/c1-30-19-10-8-17(9-11-19)6-7-18-12-14-28(15-13-18)16-22(29)27-21-5-3-2-4-20(21)23(24,25)26/h2-5,8-11,18H,6-7,12-16H2,1H3,(H,27,29).
What are the key properties of 2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 420.48 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 154755930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).