N-(4-methylcyclohexyl)-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide

C23H32N6O — CID 168993833

IUPACN-(4-methylcyclohexyl)-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide
SMILESCc1ccc(-c2cnnc(N3CCN(CC(=O)NC4CCC(C)CC4)CC3)n2)cc1
InChIInChI=1S/C23H32N6O/c1-17-3-7-19(8-4-17)21-15-24-27-23(26-21)29-13-11-28(12-14-29)16-22(30)25-20-9-5-18(2)6-10-20/h3-4,7-8,15,18,20H,5-6,9-14,16H2,1-2H3,(H,25,30)
InChIKeyOEXHLOZXKZMSOJ-UHFFFAOYSA-N
MW408.55 g/mol
LogP2.66
Rot. Bonds5

About N-(4-methylcyclohexyl)-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide

N-(4-methylcyclohexyl)-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide (PubChem CID 168993833) has the molecular formula C23H32N6O and a molecular weight of 408.55 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide
PubChem CID168993833
Molecular FormulaC23H32N6O
Molecular Weight408.55 g/mol
Exact Mass408.26
IUPAC NameN-(4-methylcyclohexyl)-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide
SMILESCc1ccc(-c2cnnc(N3CCN(CC(=O)NC4CCC(C)CC4)CC3)n2)cc1
InChIInChI=1S/C23H32N6O/c1-17-3-7-19(8-4-17)21-15-24-27-23(26-21)29-13-11-28(12-14-29)16-22(30)25-20-9-5-18(2)6-10-20/h3-4,7-8,15,18,20H,5-6,9-14,16H2,1-2H3,(H,25,30)
InChIKeyOEXHLOZXKZMSOJ-UHFFFAOYSA-N
XLogP2.66
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-methylcyclohexyl)-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]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

N-(4-aminocyclohexyl)-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide
CID 171390216
ethyl 2-[4-[[2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]cyclohexyl]oxyacetate
CID 126578137
2-[4-[[2-[4-[5-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]cyclohexyl]oxyacetic acid
CID 126583011
N-[4-[2-(dimethylamino)-2-oxoethoxy]cyclohexyl]-2-[4-[5-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide
CID 126567226
2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-N-[1-[(2R)-2-hydroxybutanoyl]piperidin-4-yl]acetamide;dihydrochloride
CID 156698910
N-(4-aminocyclohexyl)-2-[4-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide
CID 177144404
2-[4-(2-chloro-4-pyridinyl)piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 133378895
ethyl 4-[5-(4-cyclohexylphenyl)-1,2,4-triazin-3-yl]piperazine-1-carboxylate
CID 25365828
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 40696474
N-(4-methylcyclohexyl)-2-[4-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]acetamide
CID 136552953
N-(4-methylcyclohexyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 46427023
N-cyclopropyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 6468807

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide?
The IUPAC name of N-(4-methylcyclohexyl)-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide (CID 168993833) is N-(4-methylcyclohexyl)-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-methylcyclohexyl)-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide is Cc1ccc(-c2cnnc(N3CCN(CC(=O)NC4CCC(C)CC4)CC3)n2)cc1.
What is the InChIKey of N-(4-methylcyclohexyl)-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide?
The InChIKey is OEXHLOZXKZMSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O/c1-17-3-7-19(8-4-17)21-15-24-27-23(26-21)29-13-11-28(12-14-29)16-22(30)25-20-9-5-18(2)6-10-20/h3-4,7-8,15,18,20H,5-6,9-14,16H2,1-2H3,(H,25,30).
What are the key properties of N-(4-methylcyclohexyl)-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide?
N-(4-methylcyclohexyl)-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide has a molecular weight of 408.55 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide is sourced from PubChem (CID 168993833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).