(7R,9aS)-N-(3-methoxyphenyl)-7-methyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide

C16H20N4O4 — CID 163129765

IUPAC(7R,9aS)-N-(3-methoxyphenyl)-7-methyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN3C(=O)[C@@H](C)NC(=O)[C@@H]3C2)c1
InChIInChI=1S/C16H20N4O4/c1-10-15(22)20-7-6-19(9-13(20)14(21)17-10)16(23)18-11-4-3-5-12(8-11)24-2/h3-5,8,10,13H,6-7,9H2,1-2H3,(H,17,21)(H,18,23)/t10-,13+/m1/s1
InChIKeyFRNFTSKYUXBWPR-MFKMUULPSA-N
MW332.36 g/mol
LogP0.26
Rot. Bonds2

About (7R,9aS)-N-(3-methoxyphenyl)-7-methyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide

(7R,9aS)-N-(3-methoxyphenyl)-7-methyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide (PubChem CID 163129765) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is (7R,9aS)-N-(3-methoxyphenyl)-7-methyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name(7R,9aS)-N-(3-methoxyphenyl)-7-methyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
PubChem CID163129765
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Name(7R,9aS)-N-(3-methoxyphenyl)-7-methyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN3C(=O)[C@@H](C)NC(=O)[C@@H]3C2)c1
InChIInChI=1S/C16H20N4O4/c1-10-15(22)20-7-6-19(9-13(20)14(21)17-10)16(23)18-11-4-3-5-12(8-11)24-2/h3-5,8,10,13H,6-7,9H2,1-2H3,(H,17,21)(H,18,23)/t10-,13+/m1/s1
InChIKeyFRNFTSKYUXBWPR-MFKMUULPSA-N
XLogP0.26
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 ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (7R,9aS)-N-(3-methoxyphenyl)-7-methyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide with MolForge

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Related Compounds

(7S,9aS)-N-(3-methoxyphenyl)-7-[(4-methoxyphenyl)methyl]-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
CID 7161770
(7S,9aR)-7-(cyclohexylmethyl)-N-(3-methoxyphenyl)-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
CID 7161748
(8aR)-2-cyclohexyl-N-(3-methoxyphenyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 9419667
(8aS)-2-(3-methoxyphenyl)-1,3-dioxo-N-phenyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 163121674
3-hydroxy-N-(3-methoxyphenyl)-4-methylpiperidine-1-carboxamide
CID 103896298
(3R)-3-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63362733
(3R,4S)-4-tert-butyl-3-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 97261232
4-tert-butyl-3-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 75449592
4-(hydroxymethyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 61320986
(7S,9aR)-7-[(2S)-butan-2-yl]-N-(3-fluorophenyl)-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
CID 56852916
4-tert-butyl-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113110333
4-cyclopentyl-4-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 23071820

Frequently Asked Questions

What is the IUPAC name of (7R,9aS)-N-(3-methoxyphenyl)-7-methyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of (7R,9aS)-N-(3-methoxyphenyl)-7-methyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide (CID 163129765) is (7R,9aS)-N-(3-methoxyphenyl)-7-methyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for (7R,9aS)-N-(3-methoxyphenyl)-7-methyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for (7R,9aS)-N-(3-methoxyphenyl)-7-methyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide is COc1cccc(NC(=O)N2CCN3C(=O)[C@@H](C)NC(=O)[C@@H]3C2)c1.
What is the InChIKey of (7R,9aS)-N-(3-methoxyphenyl)-7-methyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide?
The InChIKey is FRNFTSKYUXBWPR-MFKMUULPSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-10-15(22)20-7-6-19(9-13(20)14(21)17-10)16(23)18-11-4-3-5-12(8-11)24-2/h3-5,8,10,13H,6-7,9H2,1-2H3,(H,17,21)(H,18,23)/t10-,13+/m1/s1.
What are the key properties of (7R,9aS)-N-(3-methoxyphenyl)-7-methyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide?
(7R,9aS)-N-(3-methoxyphenyl)-7-methyl-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 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,9aS)-N-(3-methoxyphenyl)-7-methyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 163129765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).