N-cyclohexyl-2-(6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)-2-oxoacetamide

C15H22N4O4 — CID 50958455

IUPACN-cyclohexyl-2-(6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)-2-oxoacetamide
SMILESO=C(NC1CCCCC1)C(=O)N1CCN2C(=O)CNC(=O)C2C1
InChIInChI=1S/C15H22N4O4/c20-12-8-16-13(21)11-9-18(6-7-19(11)12)15(23)14(22)17-10-4-2-1-3-5-10/h10-11H,1-9H2,(H,16,21)(H,17,22)
InChIKeyKAXNKRYRHXFTAR-UHFFFAOYSA-N
MW322.37 g/mol
LogP-1.40
Rot. Bonds1

About N-cyclohexyl-2-(6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)-2-oxoacetamide

N-cyclohexyl-2-(6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)-2-oxoacetamide (PubChem CID 50958455) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-cyclohexyl-2-(6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)-2-oxoacetamide
PubChem CID50958455
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC NameN-cyclohexyl-2-(6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)-2-oxoacetamide
SMILESO=C(NC1CCCCC1)C(=O)N1CCN2C(=O)CNC(=O)C2C1
InChIInChI=1S/C15H22N4O4/c20-12-8-16-13(21)11-9-18(6-7-19(11)12)15(23)14(22)17-10-4-2-1-3-5-10/h10-11H,1-9H2,(H,16,21)(H,17,22)
InChIKeyKAXNKRYRHXFTAR-UHFFFAOYSA-N
XLogP-1.40
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
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 N-cyclohexyl-2-(6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)-2-oxoacetamide?
The IUPAC name of N-cyclohexyl-2-(6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)-2-oxoacetamide (CID 50958455) is N-cyclohexyl-2-(6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)-2-oxoacetamide.
What is the SMILES notation for N-cyclohexyl-2-(6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)-2-oxoacetamide?
The canonical SMILES for N-cyclohexyl-2-(6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)-2-oxoacetamide is O=C(NC1CCCCC1)C(=O)N1CCN2C(=O)CNC(=O)C2C1.
What is the InChIKey of N-cyclohexyl-2-(6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)-2-oxoacetamide?
The InChIKey is KAXNKRYRHXFTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4/c20-12-8-16-13(21)11-9-18(6-7-19(11)12)15(23)14(22)17-10-4-2-1-3-5-10/h10-11H,1-9H2,(H,16,21)(H,17,22).
What are the key properties of N-cyclohexyl-2-(6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)-2-oxoacetamide?
N-cyclohexyl-2-(6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)-2-oxoacetamide has a molecular weight of 322.37 g/mol, XLogP of -1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)-2-oxoacetamide is sourced from PubChem (CID 50958455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).