4-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide

C18H28N4O3S — CID 171995786

IUPAC4-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide
SMILESCC1CCN(C(=O)CN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)CC1
InChIInChI=1S/C18H28N4O3S/c1-15-6-8-22(9-7-15)18(23)14-20-10-12-21(13-11-20)16-2-4-17(5-3-16)26(19,24)25/h2-5,15H,6-14H2,1H3,(H2,19,24,25)
InChIKeyCFRWDUKSLHHLMW-UHFFFAOYSA-N
MW380.51 g/mol
LogP0.71
Rot. Bonds4

About 4-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide

4-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide (PubChem CID 171995786) has the molecular formula C18H28N4O3S and a molecular weight of 380.51 g/mol. Its IUPAC name is 4-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide
PubChem CID171995786
Molecular FormulaC18H28N4O3S
Molecular Weight380.51 g/mol
Exact Mass380.19
IUPAC Name4-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide
SMILESCC1CCN(C(=O)CN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)CC1
InChIInChI=1S/C18H28N4O3S/c1-15-6-8-22(9-7-15)18(23)14-20-10-12-21(13-11-20)16-2-4-17(5-3-16)26(19,24)25/h2-5,15H,6-14H2,1H3,(H2,19,24,25)
InChIKeyCFRWDUKSLHHLMW-UHFFFAOYSA-N
XLogP0.71
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide
CID 78877654
4-[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide
CID 171996432
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 8742937
N-cyclohexyl-N-methyl-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide
CID 78877655
4-[4-(3-aminopropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride
CID 119843946
2-methyl-5-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyridazin-3-one
CID 171992857
1-(4-methylpiperidin-1-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 110684423
2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43521829
4-[2-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]ethyl]benzenesulfonamide
CID 109014333
2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 9435637
1,2-bis[4-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 122195196
2-[4-(2,4-difluorophenyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 165432101

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide (CID 171995786) is 4-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide is CC1CCN(C(=O)CN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)CC1.
What is the InChIKey of 4-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide?
The InChIKey is CFRWDUKSLHHLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3S/c1-15-6-8-22(9-7-15)18(23)14-20-10-12-21(13-11-20)16-2-4-17(5-3-16)26(19,24)25/h2-5,15H,6-14H2,1H3,(H2,19,24,25).
What are the key properties of 4-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide?
4-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide has a molecular weight of 380.51 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide is sourced from PubChem (CID 171995786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).