1-[2-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

C17H22N4O4 — CID 119100660

IUPAC1-[2-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCc1cc(OC2CCN(C(=O)CN3C(=O)CCC3=O)CC2)nc(C)n1
InChIInChI=1S/C17H22N4O4/c1-11-9-14(19-12(2)18-11)25-13-5-7-20(8-6-13)17(24)10-21-15(22)3-4-16(21)23/h9,13H,3-8,10H2,1-2H3
InChIKeySBKRKZUXJSHMHU-UHFFFAOYSA-N
MW346.39 g/mol
LogP0.61
Rot. Bonds4

About 1-[2-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

1-[2-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (PubChem CID 119100660) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is 1-[2-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
PubChem CID119100660
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name1-[2-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCc1cc(OC2CCN(C(=O)CN3C(=O)CCC3=O)CC2)nc(C)n1
InChIInChI=1S/C17H22N4O4/c1-11-9-14(19-12(2)18-11)25-13-5-7-20(8-6-13)17(24)10-21-15(22)3-4-16(21)23/h9,13H,3-8,10H2,1-2H3
InChIKeySBKRKZUXJSHMHU-UHFFFAOYSA-N
XLogP0.61
TPSA92.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (CID 119100660) is 1-[2-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is Cc1cc(OC2CCN(C(=O)CN3C(=O)CCC3=O)CC2)nc(C)n1.
What is the InChIKey of 1-[2-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The InChIKey is SBKRKZUXJSHMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-11-9-14(19-12(2)18-11)25-13-5-7-20(8-6-13)17(24)10-21-15(22)3-4-16(21)23/h9,13H,3-8,10H2,1-2H3.
What are the key properties of 1-[2-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
1-[2-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione has a molecular weight of 346.39 g/mol, XLogP of 0.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 119100660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).