N-(4-methoxy-2-methylphenyl)-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide

C16H20N4O4 — CID 50971326

IUPACN-(4-methoxy-2-methylphenyl)-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN3C(=O)CNC(=O)C3C2)c(C)c1
InChIInChI=1S/C16H20N4O4/c1-10-7-11(24-2)3-4-12(10)18-16(23)19-5-6-20-13(9-19)15(22)17-8-14(20)21/h3-4,7,13H,5-6,8-9H2,1-2H3,(H,17,22)(H,18,23)
InChIKeyHIGUCEJZTOVEAR-UHFFFAOYSA-N
MW332.36 g/mol
LogP0.18
Rot. Bonds2

About N-(4-methoxy-2-methylphenyl)-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide

N-(4-methoxy-2-methylphenyl)-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide (PubChem CID 50971326) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-(4-methoxy-2-methylphenyl)-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-2-methylphenyl)-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
PubChem CID50971326
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC NameN-(4-methoxy-2-methylphenyl)-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN3C(=O)CNC(=O)C3C2)c(C)c1
InChIInChI=1S/C16H20N4O4/c1-10-7-11(24-2)3-4-12(10)18-16(23)19-5-6-20-13(9-19)15(22)17-8-14(20)21/h3-4,7,13H,5-6,8-9H2,1-2H3,(H,17,22)(H,18,23)
InChIKeyHIGUCEJZTOVEAR-UHFFFAOYSA-N
XLogP0.18
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-methylphenyl)-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of N-(4-methoxy-2-methylphenyl)-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide (CID 50971326) is N-(4-methoxy-2-methylphenyl)-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-methoxy-2-methylphenyl)-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for N-(4-methoxy-2-methylphenyl)-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide is COc1ccc(NC(=O)N2CCN3C(=O)CNC(=O)C3C2)c(C)c1.
What is the InChIKey of N-(4-methoxy-2-methylphenyl)-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide?
The InChIKey is HIGUCEJZTOVEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-10-7-11(24-2)3-4-12(10)18-16(23)19-5-6-20-13(9-19)15(22)17-8-14(20)21/h3-4,7,13H,5-6,8-9H2,1-2H3,(H,17,22)(H,18,23).
What are the key properties of N-(4-methoxy-2-methylphenyl)-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide?
N-(4-methoxy-2-methylphenyl)-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-methylphenyl)-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 50971326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).