2-[2-[cyclopentyl(methyl)amino]acetyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione

C15H24N4O3 — CID 50954739

IUPAC2-[2-[cyclopentyl(methyl)amino]acetyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
SMILESCN(CC(=O)N1CCN2C(=O)CNC(=O)C2C1)C1CCCC1
InChIInChI=1S/C15H24N4O3/c1-17(11-4-2-3-5-11)10-14(21)18-6-7-19-12(9-18)15(22)16-8-13(19)20/h11-12H,2-10H2,1H3,(H,16,22)
InChIKeyQNOHIIYZWPLEJS-UHFFFAOYSA-N
MW308.38 g/mol
LogP-0.97
Rot. Bonds3

About 2-[2-[cyclopentyl(methyl)amino]acetyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione

2-[2-[cyclopentyl(methyl)amino]acetyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione (PubChem CID 50954739) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[2-[cyclopentyl(methyl)amino]acetyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione.

Molecular Properties

Compound Name2-[2-[cyclopentyl(methyl)amino]acetyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
PubChem CID50954739
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name2-[2-[cyclopentyl(methyl)amino]acetyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
SMILESCN(CC(=O)N1CCN2C(=O)CNC(=O)C2C1)C1CCCC1
InChIInChI=1S/C15H24N4O3/c1-17(11-4-2-3-5-11)10-14(21)18-6-7-19-12(9-18)15(22)16-8-13(19)20/h11-12H,2-10H2,1H3,(H,16,22)
InChIKeyQNOHIIYZWPLEJS-UHFFFAOYSA-N
XLogP-0.97
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 5-0.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopentyl(methyl)amino]acetyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The IUPAC name of 2-[2-[cyclopentyl(methyl)amino]acetyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione (CID 50954739) is 2-[2-[cyclopentyl(methyl)amino]acetyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione.
What is the SMILES notation for 2-[2-[cyclopentyl(methyl)amino]acetyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The canonical SMILES for 2-[2-[cyclopentyl(methyl)amino]acetyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione is CN(CC(=O)N1CCN2C(=O)CNC(=O)C2C1)C1CCCC1.
What is the InChIKey of 2-[2-[cyclopentyl(methyl)amino]acetyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The InChIKey is QNOHIIYZWPLEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-17(11-4-2-3-5-11)10-14(21)18-6-7-19-12(9-18)15(22)16-8-13(19)20/h11-12H,2-10H2,1H3,(H,16,22).
What are the key properties of 2-[2-[cyclopentyl(methyl)amino]acetyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
2-[2-[cyclopentyl(methyl)amino]acetyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione has a molecular weight of 308.38 g/mol, XLogP of -0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopentyl(methyl)amino]acetyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione is sourced from PubChem (CID 50954739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).