N-[3-[[4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide

C24H25N7O2 — CID 68519741

IUPACN-[3-[[4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncnc(N3CCC(c4nc5ccccc5o4)CC3)n2)c1C
InChIInChI=1S/C24H25N7O2/c1-15-18(27-16(2)32)7-5-8-19(15)29-23-25-14-26-24(30-23)31-12-10-17(11-13-31)22-28-20-6-3-4-9-21(20)33-22/h3-9,14,17H,10-13H2,1-2H3,(H,27,32)(H,25,26,29,30)
InChIKeyNSVCXJGYYFXEPV-UHFFFAOYSA-N
MW443.51 g/mol
LogP4.41
Rot. Bonds5

About N-[3-[[4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide

N-[3-[[4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide (PubChem CID 68519741) has the molecular formula C24H25N7O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is N-[3-[[4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide
PubChem CID68519741
Molecular FormulaC24H25N7O2
Molecular Weight443.51 g/mol
Exact Mass443.21
IUPAC NameN-[3-[[4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncnc(N3CCC(c4nc5ccccc5o4)CC3)n2)c1C
InChIInChI=1S/C24H25N7O2/c1-15-18(27-16(2)32)7-5-8-19(15)29-23-25-14-26-24(30-23)31-12-10-17(11-13-31)22-28-20-6-3-4-9-21(20)33-22/h3-9,14,17H,10-13H2,1-2H3,(H,27,32)(H,25,26,29,30)
InChIKeyNSVCXJGYYFXEPV-UHFFFAOYSA-N
XLogP4.41
TPSA109.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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-[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-[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
4-(1,3-benzoxazol-2-yl)-N-(2,6-dimethylphenyl)piperidine-1-carboxamide
CID 644531
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-[2-methyl-3-[[4-methyl-6-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 68562599
4-(1,3-benzoxazol-2-yl)-N-(2-ethylphenyl)piperidine-1-carboxamide
CID 1429802
N-[3-[[4-[3-[(4-chlorophenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide
CID 68563267
N-[3-[[4-[4-(4-cyano-3-methylphenyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]-N'-[3-[[4-[4-(4-cyanophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]butanediamide
CID 91266948
(2R)-N-[3-[[4-(6-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]amino]-2-methylphenyl]-5-oxopyrrolidine-2-carboxamide
CID 68566698
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

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide?
The IUPAC name of N-[3-[[4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide (CID 68519741) is N-[3-[[4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide.
What is the SMILES notation for N-[3-[[4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide?
The canonical SMILES for N-[3-[[4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide is CC(=O)Nc1cccc(Nc2ncnc(N3CCC(c4nc5ccccc5o4)CC3)n2)c1C.
What is the InChIKey of N-[3-[[4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide?
The InChIKey is NSVCXJGYYFXEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2/c1-15-18(27-16(2)32)7-5-8-19(15)29-23-25-14-26-24(30-23)31-12-10-17(11-13-31)22-28-20-6-3-4-9-21(20)33-22/h3-9,14,17H,10-13H2,1-2H3,(H,27,32)(H,25,26,29,30).
What are the key properties of N-[3-[[4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide?
N-[3-[[4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide has a molecular weight of 443.51 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide is sourced from PubChem (CID 68519741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).