4-[(9aS)-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-N-methyl-4-oxobutanamide

C13H22N4O3 — CID 95132863

IUPAC4-[(9aS)-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-N-methyl-4-oxobutanamide
SMILESCNC(=O)CCC(=O)N1CCN2CCN(C)C(=O)[C@@H]2C1
InChIInChI=1S/C13H22N4O3/c1-14-11(18)3-4-12(19)17-8-7-16-6-5-15(2)13(20)10(16)9-17/h10H,3-9H2,1-2H3,(H,14,18)/t10-/m0/s1
InChIKeySXRVEZPVPWXHBY-JTQLQIEISA-N
MW282.34 g/mol
LogP-1.50
Rot. Bonds3

About 4-[(9aS)-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-N-methyl-4-oxobutanamide

4-[(9aS)-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-N-methyl-4-oxobutanamide (PubChem CID 95132863) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-[(9aS)-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-N-methyl-4-oxobutanamide.

Molecular Properties

Compound Name4-[(9aS)-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-N-methyl-4-oxobutanamide
PubChem CID95132863
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name4-[(9aS)-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-N-methyl-4-oxobutanamide
SMILESCNC(=O)CCC(=O)N1CCN2CCN(C)C(=O)[C@@H]2C1
InChIInChI=1S/C13H22N4O3/c1-14-11(18)3-4-12(19)17-8-7-16-6-5-15(2)13(20)10(16)9-17/h10H,3-9H2,1-2H3,(H,14,18)/t10-/m0/s1
InChIKeySXRVEZPVPWXHBY-JTQLQIEISA-N
XLogP-1.50
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 5-1.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(9aS)-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-N-methyl-4-oxobutanamide?
The IUPAC name of 4-[(9aS)-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-N-methyl-4-oxobutanamide (CID 95132863) is 4-[(9aS)-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-N-methyl-4-oxobutanamide.
What is the SMILES notation for 4-[(9aS)-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-N-methyl-4-oxobutanamide?
The canonical SMILES for 4-[(9aS)-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-N-methyl-4-oxobutanamide is CNC(=O)CCC(=O)N1CCN2CCN(C)C(=O)[C@@H]2C1.
What is the InChIKey of 4-[(9aS)-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-N-methyl-4-oxobutanamide?
The InChIKey is SXRVEZPVPWXHBY-JTQLQIEISA-N. The full InChI is InChI=1S/C13H22N4O3/c1-14-11(18)3-4-12(19)17-8-7-16-6-5-15(2)13(20)10(16)9-17/h10H,3-9H2,1-2H3,(H,14,18)/t10-/m0/s1.
What are the key properties of 4-[(9aS)-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-N-methyl-4-oxobutanamide?
4-[(9aS)-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-N-methyl-4-oxobutanamide has a molecular weight of 282.34 g/mol, XLogP of -1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(9aS)-8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]-N-methyl-4-oxobutanamide is sourced from PubChem (CID 95132863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).