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

C29H30N6O2 — CID 91278939

IUPACN-[2-methyl-3-[[4-[4-(2-phenylphenoxy)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncnc(N3CCC(Oc4ccccc4-c4ccccc4)CC3)n2)c1C
InChIInChI=1S/C29H30N6O2/c1-20-25(32-21(2)36)12-8-13-26(20)33-28-30-19-31-29(34-28)35-17-15-23(16-18-35)37-27-14-7-6-11-24(27)22-9-4-3-5-10-22/h3-14,19,23H,15-18H2,1-2H3,(H,32,36)(H,30,31,33,34)
InChIKeyIVJNCMYVFQGKSD-UHFFFAOYSA-N
MW494.60 g/mol
LogP5.60
Rot. Bonds7

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

N-[2-methyl-3-[[4-[4-(2-phenylphenoxy)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide (PubChem CID 91278939) has the molecular formula C29H30N6O2 and a molecular weight of 494.60 g/mol. Its IUPAC name is N-[2-methyl-3-[[4-[4-(2-phenylphenoxy)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methyl-3-[[4-[4-(2-phenylphenoxy)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
PubChem CID91278939
Molecular FormulaC29H30N6O2
Molecular Weight494.60 g/mol
Exact Mass494.24
IUPAC NameN-[2-methyl-3-[[4-[4-(2-phenylphenoxy)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncnc(N3CCC(Oc4ccccc4-c4ccccc4)CC3)n2)c1C
InChIInChI=1S/C29H30N6O2/c1-20-25(32-21(2)36)12-8-13-26(20)33-28-30-19-31-29(34-28)35-17-15-23(16-18-35)37-27-14-7-6-11-24(27)22-9-4-3-5-10-22/h3-14,19,23H,15-18H2,1-2H3,(H,32,36)(H,30,31,33,34)
InChIKeyIVJNCMYVFQGKSD-UHFFFAOYSA-N
XLogP5.60
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.60
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-methyl-3-[[4-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 45137326
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-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide
CID 68519741
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-methyl-6-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 68562599
N-[3-[[4-[4-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide
CID 90917589
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-(4-cyano-3,5-difluorophenyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]-N'-[2-methyl-3-[[4-[4-(2,4,5-trifluorophenoxy)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]butanediamide
CID 91340338
N-[2-methyl-3-[[4-[4-[3-[3-(trifluoromethoxy)phenyl]pyrazol-1-yl]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 68563831
N-[3-[[4-(6-acetyl-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide
CID 68564078
N-[3-[[4-[4-(2-phenylphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 68518229
N-[3-[[4-(7-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide
CID 68564241

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-[[4-[4-(2-phenylphenoxy)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[2-methyl-3-[[4-[4-(2-phenylphenoxy)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide (CID 91278939) is N-[2-methyl-3-[[4-[4-(2-phenylphenoxy)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[2-methyl-3-[[4-[4-(2-phenylphenoxy)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[2-methyl-3-[[4-[4-(2-phenylphenoxy)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2ncnc(N3CCC(Oc4ccccc4-c4ccccc4)CC3)n2)c1C.
What is the InChIKey of N-[2-methyl-3-[[4-[4-(2-phenylphenoxy)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The InChIKey is IVJNCMYVFQGKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O2/c1-20-25(32-21(2)36)12-8-13-26(20)33-28-30-19-31-29(34-28)35-17-15-23(16-18-35)37-27-14-7-6-11-24(27)22-9-4-3-5-10-22/h3-14,19,23H,15-18H2,1-2H3,(H,32,36)(H,30,31,33,34).
What are the key properties of N-[2-methyl-3-[[4-[4-(2-phenylphenoxy)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
N-[2-methyl-3-[[4-[4-(2-phenylphenoxy)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide has a molecular weight of 494.60 g/mol, XLogP of 5.60, 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-[4-(2-phenylphenoxy)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 91278939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).