2-(4-tert-butylphenoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide

C23H28F3N3O2 — CID 55708412

IUPAC2-(4-tert-butylphenoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1
InChIInChI=1S/C23H28F3N3O2/c1-22(2,3)16-4-7-19(8-5-16)31-15-21(30)28-18-10-12-29(13-11-18)20-9-6-17(14-27-20)23(24,25)26/h4-9,14,18H,10-13,15H2,1-3H3,(H,28,30)
InChIKeyLVNUNHSXUNNDBU-UHFFFAOYSA-N
MW435.49 g/mol
LogP4.56
Rot. Bonds5

About 2-(4-tert-butylphenoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide

2-(4-tert-butylphenoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide (PubChem CID 55708412) has the molecular formula C23H28F3N3O2 and a molecular weight of 435.49 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide
PubChem CID55708412
Molecular FormulaC23H28F3N3O2
Molecular Weight435.49 g/mol
Exact Mass435.21
IUPAC Name2-(4-tert-butylphenoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1
InChIInChI=1S/C23H28F3N3O2/c1-22(2,3)16-4-7-19(8-5-16)31-15-21(30)28-18-10-12-29(13-11-18)20-9-6-17(14-27-20)23(24,25)26/h4-9,14,18H,10-13,15H2,1-3H3,(H,28,30)
InChIKeyLVNUNHSXUNNDBU-UHFFFAOYSA-N
XLogP4.56
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(trifluoromethoxy)phenyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide
CID 55764655
tert-butyl N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate
CID 86625881
2-naphthalen-2-yloxy-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide
CID 121142759
2-(4-chloro-2-methylphenoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide
CID 46465883
ethyl N-[2-oxo-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]ethyl]carbamate
CID 47070407
4-(trifluoromethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 46475049
2-[(2-chlorophenyl)methoxy]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide
CID 55777562
2-(4-tert-butylphenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 46419745
5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 55708564
2,2-dimethyl-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 124760927
tert-butyl N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate
CID 67001614
2-(4-tert-butylphenoxy)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 86812678

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide (CID 55708412) is 2-(4-tert-butylphenoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide is CC(C)(C)c1ccc(OCC(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide?
The InChIKey is LVNUNHSXUNNDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N3O2/c1-22(2,3)16-4-7-19(8-5-16)31-15-21(30)28-18-10-12-29(13-11-18)20-9-6-17(14-27-20)23(24,25)26/h4-9,14,18H,10-13,15H2,1-3H3,(H,28,30).
What are the key properties of 2-(4-tert-butylphenoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide?
2-(4-tert-butylphenoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide has a molecular weight of 435.49 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 55708412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).