4-[4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide

C18H28N4O3S — CID 78877654

IUPAC4-[4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide
SMILESCC1CCCN(C(=O)CN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)C1
InChIInChI=1S/C18H28N4O3S/c1-15-3-2-8-22(13-15)18(23)14-20-9-11-21(12-10-20)16-4-6-17(7-5-16)26(19,24)25/h4-7,15H,2-3,8-14H2,1H3,(H2,19,24,25)
InChIKeySQLCJUGNVFDANZ-UHFFFAOYSA-N
MW380.51 g/mol
LogP0.71
Rot. Bonds4

About 4-[4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide

4-[4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide (PubChem CID 78877654) has the molecular formula C18H28N4O3S and a molecular weight of 380.51 g/mol. Its IUPAC name is 4-[4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide
PubChem CID78877654
Molecular FormulaC18H28N4O3S
Molecular Weight380.51 g/mol
Exact Mass380.19
IUPAC Name4-[4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide
SMILESCC1CCCN(C(=O)CN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)C1
InChIInChI=1S/C18H28N4O3S/c1-15-3-2-8-22(13-15)18(23)14-20-9-11-21(12-10-20)16-4-6-17(7-5-16)26(19,24)25/h4-7,15H,2-3,8-14H2,1H3,(H2,19,24,25)
InChIKeySQLCJUGNVFDANZ-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-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide
CID 171995786
4-[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide
CID 171996432
N-cyclohexyl-N-methyl-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide
CID 78877655
N-(6-methylheptan-2-yl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide
CID 78877647
1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 39981031
N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-pyrrolidin-1-ylphenyl)methanesulfonamide
CID 113156284
2-[4-(4-methylpiperazin-1-yl)anilino]-1-(3-methylpiperidin-1-yl)ethanone
CID 109006563
1-[2-[(3R)-3-methylpiperidin-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 31539906
4-methyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 60635809
2-[(3S)-3-methylpiperidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2099648
4-[4-(3-aminopropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride
CID 119843946
2-(4-chlorophenyl)sulfonyl-1-(3-methylpiperidin-1-yl)ethanone
CID 112779660

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide (CID 78877654) is 4-[4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide is CC1CCCN(C(=O)CN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)C1.
What is the InChIKey of 4-[4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide?
The InChIKey is SQLCJUGNVFDANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3S/c1-15-3-2-8-22(13-15)18(23)14-20-9-11-21(12-10-20)16-4-6-17(7-5-16)26(19,24)25/h4-7,15H,2-3,8-14H2,1H3,(H2,19,24,25).
What are the key properties of 4-[4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide?
4-[4-[2-(3-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-(3-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide is sourced from PubChem (CID 78877654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).