4-ethyl-N-(7-oxaspiro[3.5]nonan-3-yl)-2,3-dioxopiperazine-1-carboxamide

C15H23N3O4 — CID 122276478

IUPAC4-ethyl-N-(7-oxaspiro[3.5]nonan-3-yl)-2,3-dioxopiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NC2CCC23CCOCC3)C(=O)C1=O
InChIInChI=1S/C15H23N3O4/c1-2-17-7-8-18(13(20)12(17)19)14(21)16-11-3-4-15(11)5-9-22-10-6-15/h11H,2-10H2,1H3,(H,16,21)
InChIKeyDYXPEUJJAFVYJQ-UHFFFAOYSA-N
MW309.37 g/mol
LogP0.35
Rot. Bonds2

About 4-ethyl-N-(7-oxaspiro[3.5]nonan-3-yl)-2,3-dioxopiperazine-1-carboxamide

4-ethyl-N-(7-oxaspiro[3.5]nonan-3-yl)-2,3-dioxopiperazine-1-carboxamide (PubChem CID 122276478) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-ethyl-N-(7-oxaspiro[3.5]nonan-3-yl)-2,3-dioxopiperazine-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(7-oxaspiro[3.5]nonan-3-yl)-2,3-dioxopiperazine-1-carboxamide
PubChem CID122276478
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Name4-ethyl-N-(7-oxaspiro[3.5]nonan-3-yl)-2,3-dioxopiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NC2CCC23CCOCC3)C(=O)C1=O
InChIInChI=1S/C15H23N3O4/c1-2-17-7-8-18(13(20)12(17)19)14(21)16-11-3-4-15(11)5-9-22-10-6-15/h11H,2-10H2,1H3,(H,16,21)
InChIKeyDYXPEUJJAFVYJQ-UHFFFAOYSA-N
XLogP0.35
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(7-oxaspiro[3.5]nonan-3-yl)-2,3-dioxopiperazine-1-carboxamide?
The IUPAC name of 4-ethyl-N-(7-oxaspiro[3.5]nonan-3-yl)-2,3-dioxopiperazine-1-carboxamide (CID 122276478) is 4-ethyl-N-(7-oxaspiro[3.5]nonan-3-yl)-2,3-dioxopiperazine-1-carboxamide.
What is the SMILES notation for 4-ethyl-N-(7-oxaspiro[3.5]nonan-3-yl)-2,3-dioxopiperazine-1-carboxamide?
The canonical SMILES for 4-ethyl-N-(7-oxaspiro[3.5]nonan-3-yl)-2,3-dioxopiperazine-1-carboxamide is CCN1CCN(C(=O)NC2CCC23CCOCC3)C(=O)C1=O.
What is the InChIKey of 4-ethyl-N-(7-oxaspiro[3.5]nonan-3-yl)-2,3-dioxopiperazine-1-carboxamide?
The InChIKey is DYXPEUJJAFVYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-2-17-7-8-18(13(20)12(17)19)14(21)16-11-3-4-15(11)5-9-22-10-6-15/h11H,2-10H2,1H3,(H,16,21).
What are the key properties of 4-ethyl-N-(7-oxaspiro[3.5]nonan-3-yl)-2,3-dioxopiperazine-1-carboxamide?
4-ethyl-N-(7-oxaspiro[3.5]nonan-3-yl)-2,3-dioxopiperazine-1-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(7-oxaspiro[3.5]nonan-3-yl)-2,3-dioxopiperazine-1-carboxamide is sourced from PubChem (CID 122276478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).