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

C25H30N6O2 — CID 68562599

IUPACN-[2-methyl-3-[[4-methyl-6-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2nc(C)nc(N3CCC(OCc4ccccc4)CC3)n2)c1C
InChIInChI=1S/C25H30N6O2/c1-17-22(28-19(3)32)10-7-11-23(17)29-24-26-18(2)27-25(30-24)31-14-12-21(13-15-31)33-16-20-8-5-4-6-9-20/h4-11,21H,12-16H2,1-3H3,(H,28,32)(H,26,27,29,30)
InChIKeyOSQPDSGKDJSBEC-UHFFFAOYSA-N
MW446.56 g/mol
LogP4.38
Rot. Bonds7

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

N-[2-methyl-3-[[4-methyl-6-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide (PubChem CID 68562599) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is N-[2-methyl-3-[[4-methyl-6-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methyl-3-[[4-methyl-6-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
PubChem CID68562599
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC NameN-[2-methyl-3-[[4-methyl-6-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2nc(C)nc(N3CCC(OCc4ccccc4)CC3)n2)c1C
InChIInChI=1S/C25H30N6O2/c1-17-22(28-19(3)32)10-7-11-23(17)29-24-26-18(2)27-25(30-24)31-14-12-21(13-15-31)33-16-20-8-5-4-6-9-20/h4-11,21H,12-16H2,1-3H3,(H,28,32)(H,26,27,29,30)
InChIKeyOSQPDSGKDJSBEC-UHFFFAOYSA-N
XLogP4.38
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[[4-[4-[[2-fluoro-3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide
CID 91041923
N-[2-methyl-3-[[4-[4-(2-phenylphenoxy)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 91278939
N-[3-[[4-[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide
CID 87498624
N'-[3-[[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]-N-[2-methyl-3-[[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]butanediamide
CID 90914050
2-methoxy-N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 68561992
2,2,2-trifluoro-N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 87499064
N-[2-methyl-3-[[4-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 68562439
N'-[3-[[4-[4-[[2-fluoro-3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]-N-[3-[[4-[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]butanediamide
CID 91497641
N-[2-fluoro-5-[[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 68561470
N-[3-[[4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide
CID 68519741
N-[3-[[4-[4-(3-phenylpropoxy)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 45137476
2-(4-phenylmethoxypiperidin-1-yl)pyrimidine
CID 95811444

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-[[4-methyl-6-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[2-methyl-3-[[4-methyl-6-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide (CID 68562599) is N-[2-methyl-3-[[4-methyl-6-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[2-methyl-3-[[4-methyl-6-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[2-methyl-3-[[4-methyl-6-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2nc(C)nc(N3CCC(OCc4ccccc4)CC3)n2)c1C.
What is the InChIKey of N-[2-methyl-3-[[4-methyl-6-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The InChIKey is OSQPDSGKDJSBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-17-22(28-19(3)32)10-7-11-23(17)29-24-26-18(2)27-25(30-24)31-14-12-21(13-15-31)33-16-20-8-5-4-6-9-20/h4-11,21H,12-16H2,1-3H3,(H,28,32)(H,26,27,29,30).
What are the key properties of N-[2-methyl-3-[[4-methyl-6-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
N-[2-methyl-3-[[4-methyl-6-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide has a molecular weight of 446.56 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-[[4-methyl-6-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 68562599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).