2-(4-benzylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide

C25H34N4O3S — CID 3229482

IUPAC2-(4-benzylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
SMILESCC1CCN(S(=O)(=O)c2ccc(NC(=O)CN3CCN(Cc4ccccc4)CC3)cc2)CC1
InChIInChI=1S/C25H34N4O3S/c1-21-11-13-29(14-12-21)33(31,32)24-9-7-23(8-10-24)26-25(30)20-28-17-15-27(16-18-28)19-22-5-3-2-4-6-22/h2-10,21H,11-20H2,1H3,(H,26,30)
InChIKeyOIUMYOYFRQBKOU-UHFFFAOYSA-N
MW470.64 g/mol
LogP2.86
Rot. Bonds7

About 2-(4-benzylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide

2-(4-benzylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide (PubChem CID 3229482) has the molecular formula C25H34N4O3S and a molecular weight of 470.64 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
PubChem CID3229482
Molecular FormulaC25H34N4O3S
Molecular Weight470.64 g/mol
Exact Mass470.24
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
SMILESCC1CCN(S(=O)(=O)c2ccc(NC(=O)CN3CCN(Cc4ccccc4)CC3)cc2)CC1
InChIInChI=1S/C25H34N4O3S/c1-21-11-13-29(14-12-21)33(31,32)24-9-7-23(8-10-24)26-25(30)20-28-17-15-27(16-18-28)19-22-5-3-2-4-6-22/h2-10,21H,11-20H2,1H3,(H,26,30)
InChIKeyOIUMYOYFRQBKOU-UHFFFAOYSA-N
XLogP2.86
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.64
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 2975834
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-morpholin-4-ylacetamide
CID 1071220
2-(4-methylpiperidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1152713
N,N'-bis[4-(4-methylpiperidin-1-yl)sulfonylphenyl]hexanediamide
CID 5172520
2-(4-benzyl-1,4-diazepan-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 16608527
N-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 9393646
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 1094963
2-[(1-benzylpiperidin-4-yl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide chloride
CID 53351236
2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide
CID 847262
2-cyano-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 168523258
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 2685661
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4818491

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide (CID 3229482) is 2-(4-benzylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide is CC1CCN(S(=O)(=O)c2ccc(NC(=O)CN3CCN(Cc4ccccc4)CC3)cc2)CC1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide?
The InChIKey is OIUMYOYFRQBKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O3S/c1-21-11-13-29(14-12-21)33(31,32)24-9-7-23(8-10-24)26-25(30)20-28-17-15-27(16-18-28)19-22-5-3-2-4-6-22/h2-10,21H,11-20H2,1H3,(H,26,30).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide?
2-(4-benzylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide has a molecular weight of 470.64 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide is sourced from PubChem (CID 3229482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).