1-[2-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione

C21H32N6O4S — CID 122336212

IUPAC1-[2-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione
SMILESCC1CCN(c2ccc(N3CCN(S(=O)(=O)CCN4C(=O)CCCC4=O)CC3)nn2)CC1
InChIInChI=1S/C21H32N6O4S/c1-17-7-9-24(10-8-17)18-5-6-19(23-22-18)25-11-13-26(14-12-25)32(30,31)16-15-27-20(28)3-2-4-21(27)29/h5-6,17H,2-4,7-16H2,1H3
InChIKeyFHWOKWWGRRDTSG-UHFFFAOYSA-N
MW464.59 g/mol
LogP0.70
Rot. Bonds6

About 1-[2-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione

1-[2-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione (PubChem CID 122336212) has the molecular formula C21H32N6O4S and a molecular weight of 464.59 g/mol. Its IUPAC name is 1-[2-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[2-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione
PubChem CID122336212
Molecular FormulaC21H32N6O4S
Molecular Weight464.59 g/mol
Exact Mass464.22
IUPAC Name1-[2-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione
SMILESCC1CCN(c2ccc(N3CCN(S(=O)(=O)CCN4C(=O)CCCC4=O)CC3)nn2)CC1
InChIInChI=1S/C21H32N6O4S/c1-17-7-9-24(10-8-17)18-5-6-19(23-22-18)25-11-13-26(14-12-25)32(30,31)16-15-27-20(28)3-2-4-21(27)29/h5-6,17H,2-4,7-16H2,1H3
InChIKeyFHWOKWWGRRDTSG-UHFFFAOYSA-N
XLogP0.70
TPSA107.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[2-[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione
CID 122335057
3-(4-methylpiperidin-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyridazine
CID 18584515
1-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]piperidine-2,6-dione
CID 27377683
1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione
CID 27456819
1-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione
CID 27377687
3-(4-methylpiperidin-1-yl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121052901
1-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione
CID 27377700
1-[6-(4-butylsulfonylpiperazin-1-yl)pyridazin-3-yl]azepane
CID 121053116
3-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyridazine
CID 122336258
1-[4-(4-methylpiperidin-1-yl)phenyl]-4-propylsulfonylpiperazine
CID 113079079
3-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyridazine
CID 122336222
1-[2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]sulfonylethyl]piperidine-2,6-dione
CID 90493899

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione?
The IUPAC name of 1-[2-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione (CID 122336212) is 1-[2-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[2-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione?
The canonical SMILES for 1-[2-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione is CC1CCN(c2ccc(N3CCN(S(=O)(=O)CCN4C(=O)CCCC4=O)CC3)nn2)CC1.
What is the InChIKey of 1-[2-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione?
The InChIKey is FHWOKWWGRRDTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O4S/c1-17-7-9-24(10-8-17)18-5-6-19(23-22-18)25-11-13-26(14-12-25)32(30,31)16-15-27-20(28)3-2-4-21(27)29/h5-6,17H,2-4,7-16H2,1H3.
What are the key properties of 1-[2-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione?
1-[2-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione has a molecular weight of 464.59 g/mol, XLogP of 0.70, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione is sourced from PubChem (CID 122336212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).