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

C24H28N6O3 — CID 68561992

IUPAC2-methoxy-N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
SMILESCOCC(=O)Nc1cccc(Nc2ncnc(N3CCC(OCc4ccccc4)CC3)n2)c1
InChIInChI=1S/C24H28N6O3/c1-32-16-22(31)27-19-8-5-9-20(14-19)28-23-25-17-26-24(29-23)30-12-10-21(11-13-30)33-15-18-6-3-2-4-7-18/h2-9,14,17,21H,10-13,15-16H2,1H3,(H,27,31)(H,25,26,28,29)
InChIKeyXFIPKNNHLRUGSF-UHFFFAOYSA-N
MW448.53 g/mol
LogP3.39
Rot. Bonds9

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

2-methoxy-N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide (PubChem CID 68561992) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is 2-methoxy-N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
PubChem CID68561992
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC Name2-methoxy-N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
SMILESCOCC(=O)Nc1cccc(Nc2ncnc(N3CCC(OCc4ccccc4)CC3)n2)c1
InChIInChI=1S/C24H28N6O3/c1-32-16-22(31)27-19-8-5-9-20(14-19)28-23-25-17-26-24(29-23)30-12-10-21(11-13-30)33-15-18-6-3-2-4-7-18/h2-9,14,17,21H,10-13,15-16H2,1H3,(H,27,31)(H,25,26,28,29)
InChIKeyXFIPKNNHLRUGSF-UHFFFAOYSA-N
XLogP3.39
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-methoxy-N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,2-trifluoro-N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 87499064
(2S)-N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]oxolane-2-carboxamide
CID 68563552
N-[3-[[4-[4-(3-phenylpropoxy)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 45137476
N-[2-fluoro-5-[[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 68561470
ethyl 1-[4-(3-acetamidoanilino)-1,3,5-triazin-2-yl]piperidine-4-carboxylate
CID 68565223
N-[3-[[4-(4-phenoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]-N'-[3-[[4-[4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]butanediamide
CID 91135373
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-(2-phenylphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 68518229
N-[3-[[4-[4-(3-hydroxypropyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 68567236
N-methyl-3-[[4-[3-(4-phenylmethoxyphenoxy)azetidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide
CID 121312773
N-[3-[[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 68522714
3-[[4-[4-(cyclopropylmethoxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-N-methylbenzamide
CID 121312583

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The IUPAC name of 2-methoxy-N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide (CID 68561992) is 2-methoxy-N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for 2-methoxy-N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide is COCC(=O)Nc1cccc(Nc2ncnc(N3CCC(OCc4ccccc4)CC3)n2)c1.
What is the InChIKey of 2-methoxy-N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The InChIKey is XFIPKNNHLRUGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-32-16-22(31)27-19-8-5-9-20(14-19)28-23-25-17-26-24(29-23)30-12-10-21(11-13-30)33-15-18-6-3-2-4-7-18/h2-9,14,17,21H,10-13,15-16H2,1H3,(H,27,31)(H,25,26,28,29).
What are the key properties of 2-methoxy-N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
2-methoxy-N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide has a molecular weight of 448.53 g/mol, XLogP of 3.39, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-[[4-(4-phenylmethoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 68561992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).