3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-N,N-dimethylbenzamide

C20H32N4O4S — CID 55988324

IUPAC3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-N,N-dimethylbenzamide
SMILESCC1CN(S(=O)(=O)N2CCN(Cc3cccc(C(=O)N(C)C)c3)CC2)CC(C)O1
InChIInChI=1S/C20H32N4O4S/c1-16-13-24(14-17(2)28-16)29(26,27)23-10-8-22(9-11-23)15-18-6-5-7-19(12-18)20(25)21(3)4/h5-7,12,16-17H,8-11,13-15H2,1-4H3
InChIKeyIGXOUDYNLKUCCG-UHFFFAOYSA-N
MW424.57 g/mol
LogP0.86
Rot. Bonds5

About 3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-N,N-dimethylbenzamide

3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-N,N-dimethylbenzamide (PubChem CID 55988324) has the molecular formula C20H32N4O4S and a molecular weight of 424.57 g/mol. Its IUPAC name is 3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-N,N-dimethylbenzamide
PubChem CID55988324
Molecular FormulaC20H32N4O4S
Molecular Weight424.57 g/mol
Exact Mass424.21
IUPAC Name3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-N,N-dimethylbenzamide
SMILESCC1CN(S(=O)(=O)N2CCN(Cc3cccc(C(=O)N(C)C)c3)CC2)CC(C)O1
InChIInChI=1S/C20H32N4O4S/c1-16-13-24(14-17(2)28-16)29(26,27)23-10-8-22(9-11-23)15-18-6-5-7-19(12-18)20(25)21(3)4/h5-7,12,16-17H,8-11,13-15H2,1-4H3
InChIKeyIGXOUDYNLKUCCG-UHFFFAOYSA-N
XLogP0.86
TPSA73.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide
CID 43918658
2,6-dimethyl-4-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]sulfonylmorpholine
CID 46405709
3-[[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methyl]-N,N-dimethylbenzamide
CID 95309881
3-[[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]methyl]benzoic acid
CID 122029346
3-[(2,6-dimethylmorpholin-4-yl)sulfonylmethyl]benzoic acid
CID 43362418
3-[2-[[N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-N'-methylcarbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide
CID 111668756
3-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N,N-dimethylbenzamide;hydrochloride
CID 120776525
N,N-dimethyl-3-[[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]methyl]benzamide
CID 55989493
3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N,N-dimethylbenzenesulfonamide
CID 29430254
3-[[4-(dipropylsulfamoyl)piperazin-1-yl]methyl]benzoic acid
CID 122033461
3-[[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide
CID 55988850
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24504058

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-N,N-dimethylbenzamide (CID 55988324) is 3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-N,N-dimethylbenzamide is CC1CN(S(=O)(=O)N2CCN(Cc3cccc(C(=O)N(C)C)c3)CC2)CC(C)O1.
What is the InChIKey of 3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-N,N-dimethylbenzamide?
The InChIKey is IGXOUDYNLKUCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O4S/c1-16-13-24(14-17(2)28-16)29(26,27)23-10-8-22(9-11-23)15-18-6-5-7-19(12-18)20(25)21(3)4/h5-7,12,16-17H,8-11,13-15H2,1-4H3.
What are the key properties of 3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-N,N-dimethylbenzamide?
3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-N,N-dimethylbenzamide has a molecular weight of 424.57 g/mol, XLogP of 0.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 55988324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).