1-benzyl-N-[[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]methyl]triazole-4-carboxamide

C24H29N5O3S — CID 90292098

IUPAC1-benzyl-N-[[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]methyl]triazole-4-carboxamide
SMILESCS(=O)(=O)c1ccc(CN2CCC(CNC(=O)c3cn(Cc4ccccc4)nn3)CC2)cc1
InChIInChI=1S/C24H29N5O3S/c1-33(31,32)22-9-7-21(8-10-22)16-28-13-11-19(12-14-28)15-25-24(30)23-18-29(27-26-23)17-20-5-3-2-4-6-20/h2-10,18-19H,11-17H2,1H3,(H,25,30)
InChIKeyNWMOQXRDXSBXEU-UHFFFAOYSA-N
MW467.60 g/mol
LogP2.37
Rot. Bonds8

About 1-benzyl-N-[[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]methyl]triazole-4-carboxamide

1-benzyl-N-[[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]methyl]triazole-4-carboxamide (PubChem CID 90292098) has the molecular formula C24H29N5O3S and a molecular weight of 467.60 g/mol. Its IUPAC name is 1-benzyl-N-[[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]methyl]triazole-4-carboxamide
PubChem CID90292098
Molecular FormulaC24H29N5O3S
Molecular Weight467.60 g/mol
Exact Mass467.20
IUPAC Name1-benzyl-N-[[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]methyl]triazole-4-carboxamide
SMILESCS(=O)(=O)c1ccc(CN2CCC(CNC(=O)c3cn(Cc4ccccc4)nn3)CC2)cc1
InChIInChI=1S/C24H29N5O3S/c1-33(31,32)22-9-7-21(8-10-22)16-28-13-11-19(12-14-28)15-25-24(30)23-18-29(27-26-23)17-20-5-3-2-4-6-20/h2-10,18-19H,11-17H2,1H3,(H,25,30)
InChIKeyNWMOQXRDXSBXEU-UHFFFAOYSA-N
XLogP2.37
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.60
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-benzyl-N-[[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]methyl]triazole-4-carboxamide 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

1-benzyl-5-ethyl-N-[[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]methyl]triazole-4-carboxamide
CID 90292101
(1-benzyltriazol-4-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119545055
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 16895674
1-benzyl-N'-(cyclopropanecarbonyl)triazole-4-carbohydrazide
CID 36706465
[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]methanol
CID 122463493
N-(2-acetamidoethyl)-1-benzyltriazole-4-carboxamide
CID 35052567
[2-(cyclohexylmethylamino)-2-oxoethyl] 1-benzyltriazole-4-carboxylate
CID 55516705
N-[(1-benzylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 16895714
(1-benzyltriazol-4-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 119623754
N-(2-hydroxyethyl)-1-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide
CID 26404892
5-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]pentanamide
CID 174927371
(4-benzylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanone
CID 57403942

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]methyl]triazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]methyl]triazole-4-carboxamide (CID 90292098) is 1-benzyl-N-[[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]methyl]triazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]methyl]triazole-4-carboxamide is CS(=O)(=O)c1ccc(CN2CCC(CNC(=O)c3cn(Cc4ccccc4)nn3)CC2)cc1.
What is the InChIKey of 1-benzyl-N-[[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]methyl]triazole-4-carboxamide?
The InChIKey is NWMOQXRDXSBXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3S/c1-33(31,32)22-9-7-21(8-10-22)16-28-13-11-19(12-14-28)15-25-24(30)23-18-29(27-26-23)17-20-5-3-2-4-6-20/h2-10,18-19H,11-17H2,1H3,(H,25,30).
What are the key properties of 1-benzyl-N-[[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]methyl]triazole-4-carboxamide?
1-benzyl-N-[[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]methyl]triazole-4-carboxamide has a molecular weight of 467.60 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 90292098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).