(7R,9aR)-2-[(2-fluoro-5-methylphenyl)methyl]-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione

C16H20FN3O2 — CID 56856890

IUPAC(7R,9aR)-2-[(2-fluoro-5-methylphenyl)methyl]-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
SMILESCc1ccc(F)c(CN2CCN3C(=O)[C@@H](C)NC(=O)[C@H]3C2)c1
InChIInChI=1S/C16H20FN3O2/c1-10-3-4-13(17)12(7-10)8-19-5-6-20-14(9-19)15(21)18-11(2)16(20)22/h3-4,7,11,14H,5-6,8-9H2,1-2H3,(H,18,21)/t11-,14-/m1/s1
InChIKeyRXYFHPHAQYIWBQ-BXUZGUMPSA-N
MW305.35 g/mol
LogP0.67
Rot. Bonds2

About (7R,9aR)-2-[(2-fluoro-5-methylphenyl)methyl]-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione

(7R,9aR)-2-[(2-fluoro-5-methylphenyl)methyl]-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione (PubChem CID 56856890) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is (7R,9aR)-2-[(2-fluoro-5-methylphenyl)methyl]-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione.

Molecular Properties

Compound Name(7R,9aR)-2-[(2-fluoro-5-methylphenyl)methyl]-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
PubChem CID56856890
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Name(7R,9aR)-2-[(2-fluoro-5-methylphenyl)methyl]-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
SMILESCc1ccc(F)c(CN2CCN3C(=O)[C@@H](C)NC(=O)[C@H]3C2)c1
InChIInChI=1S/C16H20FN3O2/c1-10-3-4-13(17)12(7-10)8-19-5-6-20-14(9-19)15(21)18-11(2)16(20)22/h3-4,7,11,14H,5-6,8-9H2,1-2H3,(H,18,21)/t11-,14-/m1/s1
InChIKeyRXYFHPHAQYIWBQ-BXUZGUMPSA-N
XLogP0.67
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (7R,9aR)-2-[(2-fluoro-5-methylphenyl)methyl]-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7R,9aR)-2-[(2-fluoro-5-methylphenyl)methyl]-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The IUPAC name of (7R,9aR)-2-[(2-fluoro-5-methylphenyl)methyl]-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione (CID 56856890) is (7R,9aR)-2-[(2-fluoro-5-methylphenyl)methyl]-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione.
What is the SMILES notation for (7R,9aR)-2-[(2-fluoro-5-methylphenyl)methyl]-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The canonical SMILES for (7R,9aR)-2-[(2-fluoro-5-methylphenyl)methyl]-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione is Cc1ccc(F)c(CN2CCN3C(=O)[C@@H](C)NC(=O)[C@H]3C2)c1.
What is the InChIKey of (7R,9aR)-2-[(2-fluoro-5-methylphenyl)methyl]-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The InChIKey is RXYFHPHAQYIWBQ-BXUZGUMPSA-N. The full InChI is InChI=1S/C16H20FN3O2/c1-10-3-4-13(17)12(7-10)8-19-5-6-20-14(9-19)15(21)18-11(2)16(20)22/h3-4,7,11,14H,5-6,8-9H2,1-2H3,(H,18,21)/t11-,14-/m1/s1.
What are the key properties of (7R,9aR)-2-[(2-fluoro-5-methylphenyl)methyl]-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
(7R,9aR)-2-[(2-fluoro-5-methylphenyl)methyl]-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione has a molecular weight of 305.35 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,9aR)-2-[(2-fluoro-5-methylphenyl)methyl]-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione is sourced from PubChem (CID 56856890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).