(2,5-dioxopyrrolidin-1-yl) [1-(3-oxophenoxazine-4-carbonyl)piperidin-4-yl] carbonate

C23H19N3O8 — CID 87366390

IUPAC(2,5-dioxopyrrolidin-1-yl) [1-(3-oxophenoxazine-4-carbonyl)piperidin-4-yl] carbonate
SMILESO=C(OC1CCN(C(=O)c2c3oc4ccccc4nc-3ccc2=O)CC1)ON1C(=O)CCC1=O
InChIInChI=1S/C23H19N3O8/c27-16-6-5-15-21(33-17-4-2-1-3-14(17)24-15)20(16)22(30)25-11-9-13(10-12-25)32-23(31)34-26-18(28)7-8-19(26)29/h1-6,13H,7-12H2
InChIKeyMUDVUDLTZCFLBJ-UHFFFAOYSA-N
MW465.42 g/mol
LogP2.11
Rot. Bonds3

About (2,5-dioxopyrrolidin-1-yl) [1-(3-oxophenoxazine-4-carbonyl)piperidin-4-yl] carbonate

(2,5-dioxopyrrolidin-1-yl) [1-(3-oxophenoxazine-4-carbonyl)piperidin-4-yl] carbonate (PubChem CID 87366390) has the molecular formula C23H19N3O8 and a molecular weight of 465.42 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) [1-(3-oxophenoxazine-4-carbonyl)piperidin-4-yl] carbonate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) [1-(3-oxophenoxazine-4-carbonyl)piperidin-4-yl] carbonate
PubChem CID87366390
Molecular FormulaC23H19N3O8
Molecular Weight465.42 g/mol
Exact Mass465.12
IUPAC Name(2,5-dioxopyrrolidin-1-yl) [1-(3-oxophenoxazine-4-carbonyl)piperidin-4-yl] carbonate
SMILESO=C(OC1CCN(C(=O)c2c3oc4ccccc4nc-3ccc2=O)CC1)ON1C(=O)CCC1=O
InChIInChI=1S/C23H19N3O8/c27-16-6-5-15-21(33-17-4-2-1-3-14(17)24-15)20(16)22(30)25-11-9-13(10-12-25)32-23(31)34-26-18(28)7-8-19(26)29/h1-6,13H,7-12H2
InChIKeyMUDVUDLTZCFLBJ-UHFFFAOYSA-N
XLogP2.11
TPSA136.32 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.42
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) [1-(3-oxophenoxazine-4-carbonyl)piperidin-4-yl] carbonate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) [1-(3-oxophenoxazine-4-carbonyl)piperidin-4-yl] carbonate (CID 87366390) is (2,5-dioxopyrrolidin-1-yl) [1-(3-oxophenoxazine-4-carbonyl)piperidin-4-yl] carbonate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) [1-(3-oxophenoxazine-4-carbonyl)piperidin-4-yl] carbonate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) [1-(3-oxophenoxazine-4-carbonyl)piperidin-4-yl] carbonate is O=C(OC1CCN(C(=O)c2c3oc4ccccc4nc-3ccc2=O)CC1)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) [1-(3-oxophenoxazine-4-carbonyl)piperidin-4-yl] carbonate?
The InChIKey is MUDVUDLTZCFLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O8/c27-16-6-5-15-21(33-17-4-2-1-3-14(17)24-15)20(16)22(30)25-11-9-13(10-12-25)32-23(31)34-26-18(28)7-8-19(26)29/h1-6,13H,7-12H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) [1-(3-oxophenoxazine-4-carbonyl)piperidin-4-yl] carbonate?
(2,5-dioxopyrrolidin-1-yl) [1-(3-oxophenoxazine-4-carbonyl)piperidin-4-yl] carbonate has a molecular weight of 465.42 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) [1-(3-oxophenoxazine-4-carbonyl)piperidin-4-yl] carbonate is sourced from PubChem (CID 87366390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).