N-[4-[(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]-2,2,2-trifluoroacetamide

C22H27F3N6O — CID 58865098

IUPACN-[4-[(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccc(Nc2nc(C3CCCCC3)nc(N3CCCCC3)n2)cc1)C(F)(F)F
InChIInChI=1S/C22H27F3N6O/c23-22(24,25)19(32)26-16-9-11-17(12-10-16)27-20-28-18(15-7-3-1-4-8-15)29-21(30-20)31-13-5-2-6-14-31/h9-12,15H,1-8,13-14H2,(H,26,32)(H,27,28,29,30)
InChIKeyPJSSYUZMEBTIKG-UHFFFAOYSA-N
MW448.49 g/mol
LogP5.15
Rot. Bonds5

About N-[4-[(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]-2,2,2-trifluoroacetamide

N-[4-[(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]-2,2,2-trifluoroacetamide (PubChem CID 58865098) has the molecular formula C22H27F3N6O and a molecular weight of 448.49 g/mol. Its IUPAC name is N-[4-[(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[4-[(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]-2,2,2-trifluoroacetamide
PubChem CID58865098
Molecular FormulaC22H27F3N6O
Molecular Weight448.49 g/mol
Exact Mass448.22
IUPAC NameN-[4-[(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccc(Nc2nc(C3CCCCC3)nc(N3CCCCC3)n2)cc1)C(F)(F)F
InChIInChI=1S/C22H27F3N6O/c23-22(24,25)19(32)26-16-9-11-17(12-10-16)27-20-28-18(15-7-3-1-4-8-15)29-21(30-20)31-13-5-2-6-14-31/h9-12,15H,1-8,13-14H2,(H,26,32)(H,27,28,29,30)
InChIKeyPJSSYUZMEBTIKG-UHFFFAOYSA-N
XLogP5.15
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.49
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]-2,2,2-trifluoroacetamide with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]-2-methylguanidine
CID 58865668
azane;4-cyclohexyl-N-(4-phenoxyphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine;molecular hydrogen
CID 161199444
N-[4-[(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-2-hydroxyphenyl]-4-methylbenzamide
CID 58865669
N-[4-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]acetamide
CID 7192885
azane;N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]-1-hydroxynaphthalene-2-carboxamide;molecular hydrogen;bis(2,2,2-trifluoroacetamide);hydrochloride
CID 158854620
2,2,2-trifluoro-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)acetamide
CID 62729167
4-cyclohexyl-N-[(4-methoxyphenyl)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 58865749
N-[(2-bromophenyl)methyl]-4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 71189285
4-methoxy-6-piperidin-1-yl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
CID 558859
N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]-2-hydroxy-5-(trifluoromethoxy)benzamide
CID 58865870
azane;N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]-4-fluoro-2-hydroxybenzamide;molecular hydrogen;hydrochloride
CID 159482432
N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]cyclopentanecarboxamide
CID 18566685

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[4-[(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]-2,2,2-trifluoroacetamide (CID 58865098) is N-[4-[(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[4-[(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[4-[(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]-2,2,2-trifluoroacetamide is O=C(Nc1ccc(Nc2nc(C3CCCCC3)nc(N3CCCCC3)n2)cc1)C(F)(F)F.
What is the InChIKey of N-[4-[(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is PJSSYUZMEBTIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N6O/c23-22(24,25)19(32)26-16-9-11-17(12-10-16)27-20-28-18(15-7-3-1-4-8-15)29-21(30-20)31-13-5-2-6-14-31/h9-12,15H,1-8,13-14H2,(H,26,32)(H,27,28,29,30).
What are the key properties of N-[4-[(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]-2,2,2-trifluoroacetamide?
N-[4-[(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 448.49 g/mol, XLogP of 5.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 58865098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).