1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide

C19H23F3N6O2 — CID 71655374

IUPAC1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide
SMILESCNc1nc(C)nc(N2CCC(C(=O)NCc3ccccc3OC(F)(F)F)CC2)n1
InChIInChI=1S/C19H23F3N6O2/c1-12-25-17(23-2)27-18(26-12)28-9-7-13(8-10-28)16(29)24-11-14-5-3-4-6-15(14)30-19(20,21)22/h3-6,13H,7-11H2,1-2H3,(H,24,29)(H,23,25,26,27)
InChIKeyJKZIOOYJOLTGOX-UHFFFAOYSA-N
MW424.43 g/mol
LogP2.65
Rot. Bonds6

About 1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide

1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 71655374) has the molecular formula C19H23F3N6O2 and a molecular weight of 424.43 g/mol. Its IUPAC name is 1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide
PubChem CID71655374
Molecular FormulaC19H23F3N6O2
Molecular Weight424.43 g/mol
Exact Mass424.18
IUPAC Name1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide
SMILESCNc1nc(C)nc(N2CCC(C(=O)NCc3ccccc3OC(F)(F)F)CC2)n1
InChIInChI=1S/C19H23F3N6O2/c1-12-25-17(23-2)27-18(26-12)28-9-7-13(8-10-28)16(29)24-11-14-5-3-4-6-15(14)30-19(20,21)22/h3-6,13H,7-11H2,1-2H3,(H,24,29)(H,23,25,26,27)
InChIKeyJKZIOOYJOLTGOX-UHFFFAOYSA-N
XLogP2.65
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.43
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide
CID 25261454
N-(2-(Trifluoromethoxy)-4-bromobenzyl)-1-(4-(methylamino)-6-methyl-1,3,5-triazine-2-yl)piperidine-4-carboxamide
CID 25261456
1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 71655377
1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 71655378
1-(4,6-Dimethoxy-[1,3,5]triazin-2-yl)-piperidine-4-carboxylic acid 4-methoxy-benzylamide
CID 3222665
N-[(2-methoxyphenyl)methyl]-1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide
CID 71655376
4,4,4-Trifluoro-1-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]butan-1-one
CID 56946155
N-[(2-Methoxyphenyl)methyl]-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-YL]piperidine-4-carboxamide
CID 91892481
N-{[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl}-2-(2-methoxyphenyl)acetamide
CID 121137880
6-methyl-2-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1,3,5-triazine-2,4-diamine
CID 22965375
4-[[4-(methylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 25118223
3-[[4-(methylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 25118576

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide (CID 71655374) is 1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide is CNc1nc(C)nc(N2CCC(C(=O)NCc3ccccc3OC(F)(F)F)CC2)n1.
What is the InChIKey of 1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is JKZIOOYJOLTGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N6O2/c1-12-25-17(23-2)27-18(26-12)28-9-7-13(8-10-28)16(29)24-11-14-5-3-4-6-15(14)30-19(20,21)22/h3-6,13H,7-11H2,1-2H3,(H,24,29)(H,23,25,26,27).
What are the key properties of 1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide?
1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 424.43 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 71655374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).