N-methyl-2-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]acetamide

C15H22N4O3S — CID 121020389

IUPACN-methyl-2-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]acetamide
SMILESCNC(=O)CN1CCC(N2c3ccccc3N(C)S2(=O)=O)CC1
InChIInChI=1S/C15H22N4O3S/c1-16-15(20)11-18-9-7-12(8-10-18)19-14-6-4-3-5-13(14)17(2)23(19,21)22/h3-6,12H,7-11H2,1-2H3,(H,16,20)
InChIKeySUOIGSDVTKDRRV-UHFFFAOYSA-N
MW338.43 g/mol
LogP0.40
Rot. Bonds3

About N-methyl-2-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]acetamide

N-methyl-2-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]acetamide (PubChem CID 121020389) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-methyl-2-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]acetamide
PubChem CID121020389
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC NameN-methyl-2-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]acetamide
SMILESCNC(=O)CN1CCC(N2c3ccccc3N(C)S2(=O)=O)CC1
InChIInChI=1S/C15H22N4O3S/c1-16-15(20)11-18-9-7-12(8-10-18)19-14-6-4-3-5-13(14)17(2)23(19,21)22/h3-6,12H,7-11H2,1-2H3,(H,16,20)
InChIKeySUOIGSDVTKDRRV-UHFFFAOYSA-N
XLogP0.40
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 121020386
2-[3-(1-cyclodecylpiperidin-4-yl)-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl]-N-methylacetamide
CID 46879581
3-methyl-1-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]but-2-en-1-one
CID 119103152
3,3,3-trifluoro-1-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]propan-1-one
CID 119103155
[(2R,3S)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]methanone
CID 129357320
ethane;N-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide
CID 142367954
1-[2-(methylamino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 78817800
2-[4-(benzylamino)piperidin-1-yl]-N-methylacetamide
CID 38056640
N-methyl-2-[4-[[2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methylamino]piperidin-1-yl]acetamide
CID 136514785
N-methyl-2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
CID 71793786
2-[4-[(2-bromophenyl)methylamino]piperidin-1-yl]-N-methylacetamide
CID 38056666
2-(3-cyclobutyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-cyclopentylacetamide
CID 138031807

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-methyl-2-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]acetamide (CID 121020389) is N-methyl-2-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]acetamide is CNC(=O)CN1CCC(N2c3ccccc3N(C)S2(=O)=O)CC1.
What is the InChIKey of N-methyl-2-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]acetamide?
The InChIKey is SUOIGSDVTKDRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3S/c1-16-15(20)11-18-9-7-12(8-10-18)19-14-6-4-3-5-13(14)17(2)23(19,21)22/h3-6,12H,7-11H2,1-2H3,(H,16,20).
What are the key properties of N-methyl-2-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]acetamide?
N-methyl-2-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]acetamide has a molecular weight of 338.43 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 121020389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).