1-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylethyl]piperidine-2,6-dione

C18H26N4O5S — CID 122260579

IUPAC1-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylethyl]piperidine-2,6-dione
SMILESCc1cc(OC2CCCN(S(=O)(=O)CCN3C(=O)CCCC3=O)C2)nc(C)n1
InChIInChI=1S/C18H26N4O5S/c1-13-11-16(20-14(2)19-13)27-15-5-4-8-21(12-15)28(25,26)10-9-22-17(23)6-3-7-18(22)24/h11,15H,3-10,12H2,1-2H3
InChIKeyZDIZKIDMWCJEKL-UHFFFAOYSA-N
MW410.50 g/mol
LogP0.81
Rot. Bonds6

About 1-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylethyl]piperidine-2,6-dione

1-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylethyl]piperidine-2,6-dione (PubChem CID 122260579) has the molecular formula C18H26N4O5S and a molecular weight of 410.50 g/mol. Its IUPAC name is 1-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylethyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylethyl]piperidine-2,6-dione
PubChem CID122260579
Molecular FormulaC18H26N4O5S
Molecular Weight410.50 g/mol
Exact Mass410.16
IUPAC Name1-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylethyl]piperidine-2,6-dione
SMILESCc1cc(OC2CCCN(S(=O)(=O)CCN3C(=O)CCCC3=O)C2)nc(C)n1
InChIInChI=1S/C18H26N4O5S/c1-13-11-16(20-14(2)19-13)27-15-5-4-8-21(12-15)28(25,26)10-9-22-17(23)6-3-7-18(22)24/h11,15H,3-10,12H2,1-2H3
InChIKeyZDIZKIDMWCJEKL-UHFFFAOYSA-N
XLogP0.81
TPSA109.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylethyl]piperidine-2,6-dione 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-[2-[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]sulfonylethyl]piperidine-2,6-dione
CID 119100362
4-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-3-yl]oxy-2,6-dimethylpyrimidine
CID 122260610
4-[1-(2,5-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-2,6-dimethylpyrimidine
CID 122161152
4-[1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-2,6-dimethylpyrimidine
CID 122260571
1-[2-(3-pyridazin-3-yloxypyrrolidin-1-yl)sulfonylethyl]piperidine-2,6-dione
CID 90638515
4-[1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]oxy-2,6-dimethylpyrimidine
CID 122260605
1-[2-[(3R)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]sulfonylethyl]piperidine-2,6-dione
CID 100739140
1-[4-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]ethanone
CID 122260596
4-cyclobutyloxy-2,6-dimethylpyrimidine
CID 126953843
2-methyl-4-[1-(2-phenoxyethylsulfonyl)piperidin-3-yl]oxypyrimidine
CID 122261143
N-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 122260395
[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
CID 122260327

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylethyl]piperidine-2,6-dione?
The IUPAC name of 1-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylethyl]piperidine-2,6-dione (CID 122260579) is 1-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylethyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylethyl]piperidine-2,6-dione?
The canonical SMILES for 1-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylethyl]piperidine-2,6-dione is Cc1cc(OC2CCCN(S(=O)(=O)CCN3C(=O)CCCC3=O)C2)nc(C)n1.
What is the InChIKey of 1-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylethyl]piperidine-2,6-dione?
The InChIKey is ZDIZKIDMWCJEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O5S/c1-13-11-16(20-14(2)19-13)27-15-5-4-8-21(12-15)28(25,26)10-9-22-17(23)6-3-7-18(22)24/h11,15H,3-10,12H2,1-2H3.
What are the key properties of 1-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylethyl]piperidine-2,6-dione?
1-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylethyl]piperidine-2,6-dione has a molecular weight of 410.50 g/mol, XLogP of 0.81, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylethyl]piperidine-2,6-dione is sourced from PubChem (CID 122260579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).