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

C24H27FN6O2 — CID 53362441

IUPACN-[3-[[4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncnc(N3CCC(OCc4ccc(F)cc4)CC3)n2)c1C
InChIInChI=1S/C24H27FN6O2/c1-16-21(28-17(2)32)4-3-5-22(16)29-23-26-15-27-24(30-23)31-12-10-20(11-13-31)33-14-18-6-8-19(25)9-7-18/h3-9,15,20H,10-14H2,1-2H3,(H,28,32)(H,26,27,29,30)
InChIKeyCCCFKQQTGDHLLP-UHFFFAOYSA-N
MW450.52 g/mol
LogP4.21
Rot. Bonds7

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

N-[3-[[4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide (PubChem CID 53362441) has the molecular formula C24H27FN6O2 and a molecular weight of 450.52 g/mol. Its IUPAC name is N-[3-[[4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide
PubChem CID53362441
Molecular FormulaC24H27FN6O2
Molecular Weight450.52 g/mol
Exact Mass450.22
IUPAC NameN-[3-[[4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncnc(N3CCC(OCc4ccc(F)cc4)CC3)n2)c1C
InChIInChI=1S/C24H27FN6O2/c1-16-21(28-17(2)32)4-3-5-22(16)29-23-26-15-27-24(30-23)31-12-10-20(11-13-31)33-14-18-6-8-19(25)9-7-18/h3-9,15,20H,10-14H2,1-2H3,(H,28,32)(H,26,27,29,30)
InChIKeyCCCFKQQTGDHLLP-UHFFFAOYSA-N
XLogP4.21
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methyl-3-(4-(4-(4-(trifluoromethoxy)benzyloxy)piperidin-1-yl)-1,3,5-triazin-2-ylamino)phenyl)acetamide
CID 53361524
N-[2-methyl-3-[[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 53362500
N-[2-methyl-3-[[4-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 53362501
N-[2-methyl-3-[[4-[4-[(4-propan-2-ylphenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 53362502
N-[2-methyl-3-[[4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 53362558
N-[2-methyl-3-[[4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 53362559
N-[3-[[4-(4-hydroxy-4-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 53362166
N-[3-[[4-(4-phenoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 53362168
N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 53362169
N-[2-methyl-3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 53362170
N-[3-[[4-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide
CID 53362439
N-[3-[[4-[4-[(3-fluorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide
CID 53362440

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide?
The IUPAC name of N-[3-[[4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide (CID 53362441) is N-[3-[[4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide.
What is the SMILES notation for N-[3-[[4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide?
The canonical SMILES for N-[3-[[4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide is CC(=O)Nc1cccc(Nc2ncnc(N3CCC(OCc4ccc(F)cc4)CC3)n2)c1C.
What is the InChIKey of N-[3-[[4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide?
The InChIKey is CCCFKQQTGDHLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6O2/c1-16-21(28-17(2)32)4-3-5-22(16)29-23-26-15-27-24(30-23)31-12-10-20(11-13-31)33-14-18-6-8-19(25)9-7-18/h3-9,15,20H,10-14H2,1-2H3,(H,28,32)(H,26,27,29,30).
What are the key properties of N-[3-[[4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide?
N-[3-[[4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide has a molecular weight of 450.52 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]acetamide is sourced from PubChem (CID 53362441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).