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

C21H33N3O3S — CID 46287370

IUPACN-[4-methyl-2-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCC(CN2CCC(C)CC2)CC1
InChIInChI=1S/C21H33N3O3S/c1-16-6-10-23(11-7-16)15-19-8-12-24(13-9-19)28(26,27)21-14-17(2)4-5-20(21)22-18(3)25/h4-5,14,16,19H,6-13,15H2,1-3H3,(H,22,25)
InChIKeySOOXBWLUETXKMD-UHFFFAOYSA-N
MW407.58 g/mol
LogP3.09
Rot. Bonds5

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

N-[4-methyl-2-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 46287370) has the molecular formula C21H33N3O3S and a molecular weight of 407.58 g/mol. Its IUPAC name is N-[4-methyl-2-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-2-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]sulfonylphenyl]acetamide
PubChem CID46287370
Molecular FormulaC21H33N3O3S
Molecular Weight407.58 g/mol
Exact Mass407.22
IUPAC NameN-[4-methyl-2-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCC(CN2CCC(C)CC2)CC1
InChIInChI=1S/C21H33N3O3S/c1-16-6-10-23(11-7-16)15-19-8-12-24(13-9-19)28(26,27)21-14-17(2)4-5-20(21)22-18(3)25/h4-5,14,16,19H,6-13,15H2,1-3H3,(H,22,25)
InChIKeySOOXBWLUETXKMD-UHFFFAOYSA-N
XLogP3.09
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.58
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-2-piperidin-1-ylsulfonylphenyl)acetamide
CID 35203349
4-methyl-1-[[1-(2-methylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine
CID 46287345
N-[4-methyl-2-[4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidin-1-yl]sulfonylphenyl]acetamide
CID 53083190
1-(2-ethoxy-5-methylphenyl)sulfonyl-4-methylpiperidine
CID 47000966
1-[[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine
CID 46287342
1-[6-methyl-7-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]sulfonyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 46287344
N-(2-chloro-4-methylphenyl)-1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide
CID 53068968
2-(2,4-dimethylanilino)-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110824167
N-[4-methyl-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 53053550
N-(2,5-dimethylphenyl)-4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 46349313
N-(2-methylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
CID 46366138
N-(2-bromo-4-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 109014604

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-2-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-methyl-2-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]sulfonylphenyl]acetamide (CID 46287370) is N-[4-methyl-2-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-methyl-2-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-methyl-2-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCC(CN2CCC(C)CC2)CC1.
What is the InChIKey of N-[4-methyl-2-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is SOOXBWLUETXKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3S/c1-16-6-10-23(11-7-16)15-19-8-12-24(13-9-19)28(26,27)21-14-17(2)4-5-20(21)22-18(3)25/h4-5,14,16,19H,6-13,15H2,1-3H3,(H,22,25).
What are the key properties of N-[4-methyl-2-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]sulfonylphenyl]acetamide?
N-[4-methyl-2-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 407.58 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-2-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 46287370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).