1-(4-methoxyphenyl)-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazine

C23H31N3O5S2 — CID 1166949

IUPAC1-(4-methoxyphenyl)-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazine
SMILESCOc1ccc(N2CCN(S(=O)(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)CC2)cc1
InChIInChI=1S/C23H31N3O5S2/c1-19-11-13-25(14-12-19)32(27,28)22-7-9-23(10-8-22)33(29,30)26-17-15-24(16-18-26)20-3-5-21(31-2)6-4-20/h3-10,19H,11-18H2,1-2H3
InChIKeyZAZWCEDQFAIRBV-UHFFFAOYSA-N
MW493.65 g/mol
LogP2.63
Rot. Bonds6

About 1-(4-methoxyphenyl)-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazine

1-(4-methoxyphenyl)-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazine (PubChem CID 1166949) has the molecular formula C23H31N3O5S2 and a molecular weight of 493.65 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazine
PubChem CID1166949
Molecular FormulaC23H31N3O5S2
Molecular Weight493.65 g/mol
Exact Mass493.17
IUPAC Name1-(4-methoxyphenyl)-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazine
SMILESCOc1ccc(N2CCN(S(=O)(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)CC2)cc1
InChIInChI=1S/C23H31N3O5S2/c1-19-11-13-25(14-12-19)32(27,28)22-7-9-23(10-8-22)33(29,30)26-17-15-24(16-18-26)20-3-5-21(31-2)6-4-20/h3-10,19H,11-18H2,1-2H3
InChIKeyZAZWCEDQFAIRBV-UHFFFAOYSA-N
XLogP2.63
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.65
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 1-(4-methoxyphenyl)-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazine
CID 1168311
1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-methylpiperidine
CID 66486087
1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 798545
1-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1160819
1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine
CID 1166947
1-(4-ethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1306330
1-[1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 118308435
1-(3,4-dimethylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 2478081
1-(4-methoxyphenyl)-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine;hydrochloride
CID 146051612
1-(3-chloro-4-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 3756264
[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 50777628
1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl chloride
CID 42281716

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazine?
The IUPAC name of 1-(4-methoxyphenyl)-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazine (CID 1166949) is 1-(4-methoxyphenyl)-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazine.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazine?
The canonical SMILES for 1-(4-methoxyphenyl)-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazine is COc1ccc(N2CCN(S(=O)(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazine?
The InChIKey is ZAZWCEDQFAIRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O5S2/c1-19-11-13-25(14-12-19)32(27,28)22-7-9-23(10-8-22)33(29,30)26-17-15-24(16-18-26)20-3-5-21(31-2)6-4-20/h3-10,19H,11-18H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazine?
1-(4-methoxyphenyl)-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazine has a molecular weight of 493.65 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazine is sourced from PubChem (CID 1166949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).