2-(2,6-dioxopiperidin-3-yl)-7-methyl-4,6-dihydropyrido[3,4-c]azepine-1,3-dione

C15H15N3O4 — CID 155218359

IUPAC2-(2,6-dioxopiperidin-3-yl)-7-methyl-4,6-dihydropyrido[3,4-c]azepine-1,3-dione
SMILESCC1=NC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)CC2=CC1
InChIInChI=1S/C15H15N3O4/c1-8-2-3-9-6-13(20)18(15(22)10(9)7-16-8)11-4-5-12(19)17-14(11)21/h3,7,11H,2,4-6H2,1H3,(H,17,19,21)
InChIKeyGGTIJQFQACSFBE-UHFFFAOYSA-N
MW301.30 g/mol
LogP0.23
Rot. Bonds1

About 2-(2,6-dioxopiperidin-3-yl)-7-methyl-4,6-dihydropyrido[3,4-c]azepine-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-7-methyl-4,6-dihydropyrido[3,4-c]azepine-1,3-dione (PubChem CID 155218359) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-7-methyl-4,6-dihydropyrido[3,4-c]azepine-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-7-methyl-4,6-dihydropyrido[3,4-c]azepine-1,3-dione
PubChem CID155218359
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-7-methyl-4,6-dihydropyrido[3,4-c]azepine-1,3-dione
SMILESCC1=NC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)CC2=CC1
InChIInChI=1S/C15H15N3O4/c1-8-2-3-9-6-13(20)18(15(22)10(9)7-16-8)11-4-5-12(19)17-14(11)21/h3,7,11H,2,4-6H2,1H3,(H,17,19,21)
InChIKeyGGTIJQFQACSFBE-UHFFFAOYSA-N
XLogP0.23
TPSA95.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-7-methyl-4,6-dihydropyrido[3,4-c]azepine-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-7-methyl-4,6-dihydropyrido[3,4-c]azepine-1,3-dione (CID 155218359) is 2-(2,6-dioxopiperidin-3-yl)-7-methyl-4,6-dihydropyrido[3,4-c]azepine-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-7-methyl-4,6-dihydropyrido[3,4-c]azepine-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-7-methyl-4,6-dihydropyrido[3,4-c]azepine-1,3-dione is CC1=NC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)CC2=CC1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-7-methyl-4,6-dihydropyrido[3,4-c]azepine-1,3-dione?
The InChIKey is GGTIJQFQACSFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-8-2-3-9-6-13(20)18(15(22)10(9)7-16-8)11-4-5-12(19)17-14(11)21/h3,7,11H,2,4-6H2,1H3,(H,17,19,21).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-7-methyl-4,6-dihydropyrido[3,4-c]azepine-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-7-methyl-4,6-dihydropyrido[3,4-c]azepine-1,3-dione has a molecular weight of 301.30 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-7-methyl-4,6-dihydropyrido[3,4-c]azepine-1,3-dione is sourced from PubChem (CID 155218359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).