1-[4-[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione

C21H24N4O5S — CID 138988529

IUPAC1-[4-[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione
SMILESCCc1cnc(OC2CCN(S(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)CC2)nc1
InChIInChI=1S/C21H24N4O5S/c1-2-15-13-22-21(23-14-15)30-17-9-11-24(12-10-17)31(28,29)18-5-3-16(4-6-18)25-19(26)7-8-20(25)27/h3-6,13-14,17H,2,7-12H2,1H3
InChIKeyATPUXOULGGTBNQ-UHFFFAOYSA-N
MW444.51 g/mol
LogP1.92
Rot. Bonds6

About 1-[4-[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione

1-[4-[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione (PubChem CID 138988529) has the molecular formula C21H24N4O5S and a molecular weight of 444.51 g/mol. Its IUPAC name is 1-[4-[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione
PubChem CID138988529
Molecular FormulaC21H24N4O5S
Molecular Weight444.51 g/mol
Exact Mass444.15
IUPAC Name1-[4-[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione
SMILESCCc1cnc(OC2CCN(S(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)CC2)nc1
InChIInChI=1S/C21H24N4O5S/c1-2-15-13-22-21(23-14-15)30-17-9-11-24(12-10-17)31(28,29)18-5-3-16(4-6-18)25-19(26)7-8-20(25)27/h3-6,13-14,17H,2,7-12H2,1H3
InChIKeyATPUXOULGGTBNQ-UHFFFAOYSA-N
XLogP1.92
TPSA109.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 90558894
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 122268086
1-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione
CID 146022822
5-methoxy-2-[1-(4-pyrazol-1-ylphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 154581921
5-chloro-2-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122259645
2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 90558874
6-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 122268486
1-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonyl-N-methylpiperidine-4-carboxamide
CID 110350788
1-[4-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione
CID 146024603
2-[1-(2,5-dichlorophenyl)sulfonylpiperidin-3-yl]oxy-5-ethylpyrimidine
CID 122268440
1-[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione
CID 146022867
5-ethyl-2-[1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122268447

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[4-[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione (CID 138988529) is 1-[4-[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione is CCc1cnc(OC2CCN(S(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)CC2)nc1.
What is the InChIKey of 1-[4-[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione?
The InChIKey is ATPUXOULGGTBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5S/c1-2-15-13-22-21(23-14-15)30-17-9-11-24(12-10-17)31(28,29)18-5-3-16(4-6-18)25-19(26)7-8-20(25)27/h3-6,13-14,17H,2,7-12H2,1H3.
What are the key properties of 1-[4-[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione?
1-[4-[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione has a molecular weight of 444.51 g/mol, XLogP of 1.92, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 138988529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).