1-[3-[[4-[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]propan-2-one

C26H29ClN4O2 — CID 157066767

IUPAC1-[3-[[4-[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]propan-2-one
SMILESCC(=O)Cc1cccc(Cc2ncnc(N3CCC(OCc4ccc(Cl)cc4)CC3)n2)c1C
InChIInChI=1S/C26H29ClN4O2/c1-18(32)14-21-4-3-5-22(19(21)2)15-25-28-17-29-26(30-25)31-12-10-24(11-13-31)33-16-20-6-8-23(27)9-7-20/h3-9,17,24H,10-16H2,1-2H3
InChIKeyCLHDJLRCCHNQOW-UHFFFAOYSA-N
MW465.00 g/mol
LogP4.74
Rot. Bonds8

About 1-[3-[[4-[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]propan-2-one

1-[3-[[4-[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]propan-2-one (PubChem CID 157066767) has the molecular formula C26H29ClN4O2 and a molecular weight of 465.00 g/mol. Its IUPAC name is 1-[3-[[4-[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]propan-2-one.

Molecular Properties

Compound Name1-[3-[[4-[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]propan-2-one
PubChem CID157066767
Molecular FormulaC26H29ClN4O2
Molecular Weight465.00 g/mol
Exact Mass464.20
IUPAC Name1-[3-[[4-[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]propan-2-one
SMILESCC(=O)Cc1cccc(Cc2ncnc(N3CCC(OCc4ccc(Cl)cc4)CC3)n2)c1C
InChIInChI=1S/C26H29ClN4O2/c1-18(32)14-21-4-3-5-22(19(21)2)15-25-28-17-29-26(30-25)31-12-10-24(11-13-31)33-16-20-6-8-23(27)9-7-20/h3-9,17,24H,10-16H2,1-2H3
InChIKeyCLHDJLRCCHNQOW-UHFFFAOYSA-N
XLogP4.74
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.00
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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-[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-[[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-(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
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
2-methoxy-N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 68561992
6-[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 142496543
N-[2-methyl-3-[[4-methyl-6-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 68562599
2-(4-phenylmethoxypiperidin-1-yl)pyrimidine
CID 95811444
4-(4-chlorophenyl)-1-(4-phenylmethoxypiperidin-1-yl)butan-1-one
CID 55773001
2,2,2-trifluoro-N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 87499064
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

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]propan-2-one?
The IUPAC name of 1-[3-[[4-[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]propan-2-one (CID 157066767) is 1-[3-[[4-[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]propan-2-one.
What is the SMILES notation for 1-[3-[[4-[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]propan-2-one?
The canonical SMILES for 1-[3-[[4-[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]propan-2-one is CC(=O)Cc1cccc(Cc2ncnc(N3CCC(OCc4ccc(Cl)cc4)CC3)n2)c1C.
What is the InChIKey of 1-[3-[[4-[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]propan-2-one?
The InChIKey is CLHDJLRCCHNQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN4O2/c1-18(32)14-21-4-3-5-22(19(21)2)15-25-28-17-29-26(30-25)31-12-10-24(11-13-31)33-16-20-6-8-23(27)9-7-20/h3-9,17,24H,10-16H2,1-2H3.
What are the key properties of 1-[3-[[4-[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]propan-2-one?
1-[3-[[4-[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]propan-2-one has a molecular weight of 465.00 g/mol, XLogP of 4.74, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]propan-2-one is sourced from PubChem (CID 157066767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).