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

C22H27F3N6O2 — CID 71655445

IUPAC1-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCc1nc(N2CCOCC2)nc(N2CCC(C(=O)NCc3ccccc3C(F)(F)F)CC2)n1
InChIInChI=1S/C22H27F3N6O2/c1-15-27-20(29-21(28-15)31-10-12-33-13-11-31)30-8-6-16(7-9-30)19(32)26-14-17-4-2-3-5-18(17)22(23,24)25/h2-5,16H,6-14H2,1H3,(H,26,32)
InChIKeyMVEYHUFYLLSGSR-UHFFFAOYSA-N
MW464.49 g/mol
LogP2.57
Rot. Bonds5

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

1-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 71655445) has the molecular formula C22H27F3N6O2 and a molecular weight of 464.49 g/mol. Its IUPAC name is 1-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID71655445
Molecular FormulaC22H27F3N6O2
Molecular Weight464.49 g/mol
Exact Mass464.21
IUPAC Name1-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCc1nc(N2CCOCC2)nc(N2CCC(C(=O)NCc3ccccc3C(F)(F)F)CC2)n1
InChIInChI=1S/C22H27F3N6O2/c1-15-27-20(29-21(28-15)31-10-12-33-13-11-31)30-8-6-16(7-9-30)19(32)26-14-17-4-2-3-5-18(17)22(23,24)25/h2-5,16H,6-14H2,1H3,(H,26,32)
InChIKeyMVEYHUFYLLSGSR-UHFFFAOYSA-N
XLogP2.57
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.49
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-Methyl-6-(Methylamino)-1,3,5-Triazin-2-Yl]-N-[2-(Trifluoromethyl)benzyl]piperidine-4-Carboxamide
CID 59447733
1-[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]-N-{[2-(trifluoromethyl)phenyl]methyl}-4-piperidinecarboxamide
CID 25261287
1-[4-cyclohexyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 71655442
1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 71655443
1-[4-methyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 71655444
1-[4-(2-methoxyethylamino)-6-methyl-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 71655503
1-[4-[2-(dimethylamino)ethyl-methylamino]-6-(methylamino)-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 25261449
1-[4-(methylamino)-6-(4-methyl-1-piperazinyl)-1,3,5-triazin-2-yl]-N-{[2-(trifluoromethyl)phenyl]methyl}-4-piperidinecarboxamide
CID 25261451
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide
CID 25261457
1-[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 25261927
1-[4-ethyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 59447737
1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 71655375

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (CID 71655445) is 1-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is Cc1nc(N2CCOCC2)nc(N2CCC(C(=O)NCc3ccccc3C(F)(F)F)CC2)n1.
What is the InChIKey of 1-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is MVEYHUFYLLSGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N6O2/c1-15-27-20(29-21(28-15)31-10-12-33-13-11-31)30-8-6-16(7-9-30)19(32)26-14-17-4-2-3-5-18(17)22(23,24)25/h2-5,16H,6-14H2,1H3,(H,26,32).
What are the key properties of 1-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
1-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 464.49 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 71655445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).