N-[3-(piperidin-1-ylmethyl)phenyl]-2-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]methoxy]acetamide

C29H41N3O4S — CID 24945251

IUPACN-[3-(piperidin-1-ylmethyl)phenyl]-2-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]methoxy]acetamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCCCC2COCC(=O)Nc2cccc(CN3CCCCC3)c2)c(C)c1
InChIInChI=1S/C29H41N3O4S/c1-22-16-23(2)29(24(3)17-22)37(34,35)32-15-8-5-12-27(32)20-36-21-28(33)30-26-11-9-10-25(18-26)19-31-13-6-4-7-14-31/h9-11,16-18,27H,4-8,12-15,19-21H2,1-3H3,(H,30,33)
InChIKeyGGZUUMLPFWGLOC-UHFFFAOYSA-N
MW527.73 g/mol
LogP4.80
Rot. Bonds9

About N-[3-(piperidin-1-ylmethyl)phenyl]-2-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]methoxy]acetamide

N-[3-(piperidin-1-ylmethyl)phenyl]-2-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]methoxy]acetamide (PubChem CID 24945251) has the molecular formula C29H41N3O4S and a molecular weight of 527.73 g/mol. Its IUPAC name is N-[3-(piperidin-1-ylmethyl)phenyl]-2-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]methoxy]acetamide.

Molecular Properties

Compound NameN-[3-(piperidin-1-ylmethyl)phenyl]-2-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]methoxy]acetamide
PubChem CID24945251
Molecular FormulaC29H41N3O4S
Molecular Weight527.73 g/mol
Exact Mass527.28
IUPAC NameN-[3-(piperidin-1-ylmethyl)phenyl]-2-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]methoxy]acetamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCCCC2COCC(=O)Nc2cccc(CN3CCCCC3)c2)c(C)c1
InChIInChI=1S/C29H41N3O4S/c1-22-16-23(2)29(24(3)17-22)37(34,35)32-15-8-5-12-27(32)20-36-21-28(33)30-26-11-9-10-25(18-26)19-31-13-6-4-7-14-31/h9-11,16-18,27H,4-8,12-15,19-21H2,1-3H3,(H,30,33)
InChIKeyGGZUUMLPFWGLOC-UHFFFAOYSA-N
XLogP4.80
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.73
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 67456239
2-[2-oxo-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethoxy]acetic acid
CID 61326883
1-(3-chlorophenyl)-3-[2-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]urea
CID 41195346
2-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 67455259
1-phenyl-3-[2-[(2S)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]urea
CID 7280470
N'-(3-methylphenyl)-N-[[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide
CID 16829887
2-(methylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 43704904
1-methyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]azepane-2-carboxamide
CID 131900931
N-methyl-N-(1-methylpiperidin-4-yl)-2-[[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]acetamide
CID 78019142
N'-(3-fluorophenyl)-N-[[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide
CID 41222574
N'-(3-chlorophenyl)-N-[[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide
CID 41222523
2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]-N-(4-phenyl-4-pyrrolidin-1-ylcyclohexyl)acetamide
CID 68630368

Frequently Asked Questions

What is the IUPAC name of N-[3-(piperidin-1-ylmethyl)phenyl]-2-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]methoxy]acetamide?
The IUPAC name of N-[3-(piperidin-1-ylmethyl)phenyl]-2-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]methoxy]acetamide (CID 24945251) is N-[3-(piperidin-1-ylmethyl)phenyl]-2-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]methoxy]acetamide.
What is the SMILES notation for N-[3-(piperidin-1-ylmethyl)phenyl]-2-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]methoxy]acetamide?
The canonical SMILES for N-[3-(piperidin-1-ylmethyl)phenyl]-2-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]methoxy]acetamide is Cc1cc(C)c(S(=O)(=O)N2CCCCC2COCC(=O)Nc2cccc(CN3CCCCC3)c2)c(C)c1.
What is the InChIKey of N-[3-(piperidin-1-ylmethyl)phenyl]-2-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]methoxy]acetamide?
The InChIKey is GGZUUMLPFWGLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41N3O4S/c1-22-16-23(2)29(24(3)17-22)37(34,35)32-15-8-5-12-27(32)20-36-21-28(33)30-26-11-9-10-25(18-26)19-31-13-6-4-7-14-31/h9-11,16-18,27H,4-8,12-15,19-21H2,1-3H3,(H,30,33).
What are the key properties of N-[3-(piperidin-1-ylmethyl)phenyl]-2-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]methoxy]acetamide?
N-[3-(piperidin-1-ylmethyl)phenyl]-2-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]methoxy]acetamide has a molecular weight of 527.73 g/mol, XLogP of 4.80, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(piperidin-1-ylmethyl)phenyl]-2-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]methoxy]acetamide is sourced from PubChem (CID 24945251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).