4-oxo-4-piperidin-1-yl-N-(1,3,4-trioxoisoquinolin-6-yl)butanamide

C18H19N3O5 — CID 11639020

IUPAC4-oxo-4-piperidin-1-yl-N-(1,3,4-trioxoisoquinolin-6-yl)butanamide
SMILESO=C(CCC(=O)N1CCCCC1)Nc1ccc2c(c1)C(=O)C(=O)NC2=O
InChIInChI=1S/C18H19N3O5/c22-14(6-7-15(23)21-8-2-1-3-9-21)19-11-4-5-12-13(10-11)16(24)18(26)20-17(12)25/h4-5,10H,1-3,6-9H2,(H,19,22)(H,20,25,26)
InChIKeyOZAFISSWLZQMIS-UHFFFAOYSA-N
MW357.37 g/mol
LogP0.87
Rot. Bonds4

About 4-oxo-4-piperidin-1-yl-N-(1,3,4-trioxoisoquinolin-6-yl)butanamide

4-oxo-4-piperidin-1-yl-N-(1,3,4-trioxoisoquinolin-6-yl)butanamide (PubChem CID 11639020) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is 4-oxo-4-piperidin-1-yl-N-(1,3,4-trioxoisoquinolin-6-yl)butanamide.

Molecular Properties

Compound Name4-oxo-4-piperidin-1-yl-N-(1,3,4-trioxoisoquinolin-6-yl)butanamide
PubChem CID11639020
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC Name4-oxo-4-piperidin-1-yl-N-(1,3,4-trioxoisoquinolin-6-yl)butanamide
SMILESO=C(CCC(=O)N1CCCCC1)Nc1ccc2c(c1)C(=O)C(=O)NC2=O
InChIInChI=1S/C18H19N3O5/c22-14(6-7-15(23)21-8-2-1-3-9-21)19-11-4-5-12-13(10-11)16(24)18(26)20-17(12)25/h4-5,10H,1-3,6-9H2,(H,19,22)(H,20,25,26)
InChIKeyOZAFISSWLZQMIS-UHFFFAOYSA-N
XLogP0.87
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-piperidin-1-yl-N-(1,3,4-trioxoisoquinolin-6-yl)butanamide?
The IUPAC name of 4-oxo-4-piperidin-1-yl-N-(1,3,4-trioxoisoquinolin-6-yl)butanamide (CID 11639020) is 4-oxo-4-piperidin-1-yl-N-(1,3,4-trioxoisoquinolin-6-yl)butanamide.
What is the SMILES notation for 4-oxo-4-piperidin-1-yl-N-(1,3,4-trioxoisoquinolin-6-yl)butanamide?
The canonical SMILES for 4-oxo-4-piperidin-1-yl-N-(1,3,4-trioxoisoquinolin-6-yl)butanamide is O=C(CCC(=O)N1CCCCC1)Nc1ccc2c(c1)C(=O)C(=O)NC2=O.
What is the InChIKey of 4-oxo-4-piperidin-1-yl-N-(1,3,4-trioxoisoquinolin-6-yl)butanamide?
The InChIKey is OZAFISSWLZQMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c22-14(6-7-15(23)21-8-2-1-3-9-21)19-11-4-5-12-13(10-11)16(24)18(26)20-17(12)25/h4-5,10H,1-3,6-9H2,(H,19,22)(H,20,25,26).
What are the key properties of 4-oxo-4-piperidin-1-yl-N-(1,3,4-trioxoisoquinolin-6-yl)butanamide?
4-oxo-4-piperidin-1-yl-N-(1,3,4-trioxoisoquinolin-6-yl)butanamide has a molecular weight of 357.37 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-piperidin-1-yl-N-(1,3,4-trioxoisoquinolin-6-yl)butanamide is sourced from PubChem (CID 11639020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).