3-[[4-(4-benzoylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-N-methylbenzamide

C23H24N6O2 — CID 121312638

IUPAC3-[[4-(4-benzoylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(Nc2ncnc(N3CCC(C(=O)c4ccccc4)CC3)n2)c1
InChIInChI=1S/C23H24N6O2/c1-24-21(31)18-8-5-9-19(14-18)27-22-25-15-26-23(28-22)29-12-10-17(11-13-29)20(30)16-6-3-2-4-7-16/h2-9,14-15,17H,10-13H2,1H3,(H,24,31)(H,25,26,27,28)
InChIKeyIYHGZBORUYYBBH-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.07
Rot. Bonds6

About 3-[[4-(4-benzoylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-N-methylbenzamide

3-[[4-(4-benzoylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-N-methylbenzamide (PubChem CID 121312638) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 3-[[4-(4-benzoylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[4-(4-benzoylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-N-methylbenzamide
PubChem CID121312638
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name3-[[4-(4-benzoylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(Nc2ncnc(N3CCC(C(=O)c4ccccc4)CC3)n2)c1
InChIInChI=1S/C23H24N6O2/c1-24-21(31)18-8-5-9-19(14-18)27-22-25-15-26-23(28-22)29-12-10-17(11-13-29)20(30)16-6-3-2-4-7-16/h2-9,14-15,17H,10-13H2,1H3,(H,24,31)(H,25,26,27,28)
InChIKeyIYHGZBORUYYBBH-UHFFFAOYSA-N
XLogP3.07
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[[4-(4-benzoylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-N-methylbenzamide 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

4-methyl-3-(4-(methyl(2-phenylpropyl)amino)-6-((S)-pyrrolidin-3-ylamino)-1,3,5-triazin-2-ylamino)benzamide
CID 24821851
4-[[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]amino]methyl]-N-ethyl-N-(3-methylphenyl)benzamide
CID 46850607
N-Ethyl-4-[[[4-(7-fluoro-3,4-dihydro-2(1H)-isoquinolinyl)-1,3,5-triazin-2-yl]amino]methyl]-N-(3-methylphenyl)benzamide
CID 70218785
N-ethyl-4-[[[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]amino]methyl]-N-(3-methylphenyl)benzamide
CID 70218786
4-(4-(((1-acryloylpiperidin-4-yl)methyl)amino)-6-aminopyrimidin-5-yl)-N-phenylbenzamide
CID 86721813
N-[2-methyl-5-[[4-[4-(piperidine-1-carbonyl)anilino]-1,3,5-triazin-2-yl]amino]phenyl]prop-2-enamide
CID 152011470
N-(3-acetylphenyl)-2-{[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl}acetamide
CID 1252665
N-[1-(4-isobutylbenzyl)-3-piperidyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 24792032
[4-[[4-(Methylamino)-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]-1-piperidyl]-phenyl-methanone
CID 57394870
2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]-N-methylbenzamide
CID 71813143
2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]-N-ethylbenzamide
CID 71813144
2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]-N-propan-2-ylbenzamide
CID 71813145

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-benzoylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-N-methylbenzamide?
The IUPAC name of 3-[[4-(4-benzoylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-N-methylbenzamide (CID 121312638) is 3-[[4-(4-benzoylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-N-methylbenzamide.
What is the SMILES notation for 3-[[4-(4-benzoylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-N-methylbenzamide?
The canonical SMILES for 3-[[4-(4-benzoylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-N-methylbenzamide is CNC(=O)c1cccc(Nc2ncnc(N3CCC(C(=O)c4ccccc4)CC3)n2)c1.
What is the InChIKey of 3-[[4-(4-benzoylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-N-methylbenzamide?
The InChIKey is IYHGZBORUYYBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-24-21(31)18-8-5-9-19(14-18)27-22-25-15-26-23(28-22)29-12-10-17(11-13-29)20(30)16-6-3-2-4-7-16/h2-9,14-15,17H,10-13H2,1H3,(H,24,31)(H,25,26,27,28).
What are the key properties of 3-[[4-(4-benzoylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-N-methylbenzamide?
3-[[4-(4-benzoylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-N-methylbenzamide has a molecular weight of 416.49 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-benzoylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-N-methylbenzamide is sourced from PubChem (CID 121312638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).