2-[1-[4-amino-6-(2-methylpropyl)-1,3,5-triazin-2-yl]piperidin-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide

C22H29F3N6O — CID 25261133

IUPAC2-[1-[4-amino-6-(2-methylpropyl)-1,3,5-triazin-2-yl]piperidin-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCC(C)Cc1nc(N)nc(N2CCC(CC(=O)NCc3ccccc3C(F)(F)F)CC2)n1
InChIInChI=1S/C22H29F3N6O/c1-14(2)11-18-28-20(26)30-21(29-18)31-9-7-15(8-10-31)12-19(32)27-13-16-5-3-4-6-17(16)22(23,24)25/h3-6,14-15H,7-13H2,1-2H3,(H,27,32)(H2,26,28,29,30)
InChIKeyXTFJIHJYMLRILF-UHFFFAOYSA-N
MW450.51 g/mol
LogP3.59
Rot. Bonds7

About 2-[1-[4-amino-6-(2-methylpropyl)-1,3,5-triazin-2-yl]piperidin-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide

2-[1-[4-amino-6-(2-methylpropyl)-1,3,5-triazin-2-yl]piperidin-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 25261133) has the molecular formula C22H29F3N6O and a molecular weight of 450.51 g/mol. Its IUPAC name is 2-[1-[4-amino-6-(2-methylpropyl)-1,3,5-triazin-2-yl]piperidin-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[1-[4-amino-6-(2-methylpropyl)-1,3,5-triazin-2-yl]piperidin-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID25261133
Molecular FormulaC22H29F3N6O
Molecular Weight450.51 g/mol
Exact Mass450.24
IUPAC Name2-[1-[4-amino-6-(2-methylpropyl)-1,3,5-triazin-2-yl]piperidin-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCC(C)Cc1nc(N)nc(N2CCC(CC(=O)NCc3ccccc3C(F)(F)F)CC2)n1
InChIInChI=1S/C22H29F3N6O/c1-14(2)11-18-28-20(26)30-21(29-18)31-9-7-15(8-10-31)12-19(32)27-13-16-5-3-4-6-17(16)22(23,24)25/h3-6,14-15H,7-13H2,1-2H3,(H,27,32)(H2,26,28,29,30)
InChIKeyXTFJIHJYMLRILF-UHFFFAOYSA-N
XLogP3.59
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-amino-6-phenyl-1,3,5-triazin-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 59447717
1-[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 25261927
1-[4,6-bis[2-(dimethylamino)ethyl-methylamino]-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 25261925
N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 91774516
5-amino-4-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide
CID 82010760
2-(ethylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 55129029
2-amino-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 62879781
1-[4-(methylamino)-6-thiophen-3-yl-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 25261291
4-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 59242543
2-amino-2-cyclopropyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 62879952
1-[4-[[(2R)-2-phenylpropyl]amino]-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 25261618
2-propan-2-yloxy-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 112686778

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-amino-6-(2-methylpropyl)-1,3,5-triazin-2-yl]piperidin-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[1-[4-amino-6-(2-methylpropyl)-1,3,5-triazin-2-yl]piperidin-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide (CID 25261133) is 2-[1-[4-amino-6-(2-methylpropyl)-1,3,5-triazin-2-yl]piperidin-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[1-[4-amino-6-(2-methylpropyl)-1,3,5-triazin-2-yl]piperidin-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[1-[4-amino-6-(2-methylpropyl)-1,3,5-triazin-2-yl]piperidin-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide is CC(C)Cc1nc(N)nc(N2CCC(CC(=O)NCc3ccccc3C(F)(F)F)CC2)n1.
What is the InChIKey of 2-[1-[4-amino-6-(2-methylpropyl)-1,3,5-triazin-2-yl]piperidin-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is XTFJIHJYMLRILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29F3N6O/c1-14(2)11-18-28-20(26)30-21(29-18)31-9-7-15(8-10-31)12-19(32)27-13-16-5-3-4-6-17(16)22(23,24)25/h3-6,14-15H,7-13H2,1-2H3,(H,27,32)(H2,26,28,29,30).
What are the key properties of 2-[1-[4-amino-6-(2-methylpropyl)-1,3,5-triazin-2-yl]piperidin-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
2-[1-[4-amino-6-(2-methylpropyl)-1,3,5-triazin-2-yl]piperidin-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 450.51 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-amino-6-(2-methylpropyl)-1,3,5-triazin-2-yl]piperidin-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 25261133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).