1-[2-[3-(1-methyl-5-oxo-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

C17H25N5O4 — CID 90541284

IUPAC1-[2-[3-(1-methyl-5-oxo-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCC(C)n1c(C2CCCN(C(=O)CN3C(=O)CCC3=O)C2)nn(C)c1=O
InChIInChI=1S/C17H25N5O4/c1-11(2)22-16(18-19(3)17(22)26)12-5-4-8-20(9-12)15(25)10-21-13(23)6-7-14(21)24/h11-12H,4-10H2,1-3H3
InChIKeyZUQJPZMMTASDCU-UHFFFAOYSA-N
MW363.42 g/mol
LogP0.02
Rot. Bonds4

About 1-[2-[3-(1-methyl-5-oxo-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

1-[2-[3-(1-methyl-5-oxo-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (PubChem CID 90541284) has the molecular formula C17H25N5O4 and a molecular weight of 363.42 g/mol. Its IUPAC name is 1-[2-[3-(1-methyl-5-oxo-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[3-(1-methyl-5-oxo-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
PubChem CID90541284
Molecular FormulaC17H25N5O4
Molecular Weight363.42 g/mol
Exact Mass363.19
IUPAC Name1-[2-[3-(1-methyl-5-oxo-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCC(C)n1c(C2CCCN(C(=O)CN3C(=O)CCC3=O)C2)nn(C)c1=O
InChIInChI=1S/C17H25N5O4/c1-11(2)22-16(18-19(3)17(22)26)12-5-4-8-20(9-12)15(25)10-21-13(23)6-7-14(21)24/h11-12H,4-10H2,1-3H3
InChIKeyZUQJPZMMTASDCU-UHFFFAOYSA-N
XLogP0.02
TPSA97.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-[3-(1-methyl-5-oxo-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[3-(1-methyl-5-oxo-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (CID 90541284) is 1-[2-[3-(1-methyl-5-oxo-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[3-(1-methyl-5-oxo-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[3-(1-methyl-5-oxo-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is CC(C)n1c(C2CCCN(C(=O)CN3C(=O)CCC3=O)C2)nn(C)c1=O.
What is the InChIKey of 1-[2-[3-(1-methyl-5-oxo-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The InChIKey is ZUQJPZMMTASDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O4/c1-11(2)22-16(18-19(3)17(22)26)12-5-4-8-20(9-12)15(25)10-21-13(23)6-7-14(21)24/h11-12H,4-10H2,1-3H3.
What are the key properties of 1-[2-[3-(1-methyl-5-oxo-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
1-[2-[3-(1-methyl-5-oxo-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione has a molecular weight of 363.42 g/mol, XLogP of 0.02, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(1-methyl-5-oxo-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 90541284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).