(9aS)-2-[2-(diethylamino)acetyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione

C13H22N4O3 — CID 95128087

IUPAC(9aS)-2-[2-(diethylamino)acetyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
SMILESCCN(CC)CC(=O)N1CCN2C(=O)CNC(=O)[C@@H]2C1
InChIInChI=1S/C13H22N4O3/c1-3-15(4-2)9-12(19)16-5-6-17-10(8-16)13(20)14-7-11(17)18/h10H,3-9H2,1-2H3,(H,14,20)/t10-/m0/s1
InChIKeyDTRGMJFAIZCWBL-JTQLQIEISA-N
MW282.34 g/mol
LogP-1.50
Rot. Bonds4

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

(9aS)-2-[2-(diethylamino)acetyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione (PubChem CID 95128087) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is (9aS)-2-[2-(diethylamino)acetyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione.

Molecular Properties

Compound Name(9aS)-2-[2-(diethylamino)acetyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
PubChem CID95128087
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name(9aS)-2-[2-(diethylamino)acetyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
SMILESCCN(CC)CC(=O)N1CCN2C(=O)CNC(=O)[C@@H]2C1
InChIInChI=1S/C13H22N4O3/c1-3-15(4-2)9-12(19)16-5-6-17-10(8-16)13(20)14-7-11(17)18/h10H,3-9H2,1-2H3,(H,14,20)/t10-/m0/s1
InChIKeyDTRGMJFAIZCWBL-JTQLQIEISA-N
XLogP-1.50
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

Analyze (9aS)-2-[2-(diethylamino)acetyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methoxyacetyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 162923972
ethyl 3-[[(9aR)-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carbonyl]amino]propanoate
CID 95142888
(9aR)-2-[2-(2-chlorophenyl)acetyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 125176540
2-[4-(1,3-dihydroisoindol-2-yl)butanoyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 50951633
(9aR)-2-(piperidine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 7156161
2-(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 50976632
(9aR)-2-(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 95138056
(9aR)-2-[3-(1,3-benzothiazol-2-yl)propanoyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 95122132
ethyl 4-[(9aR)-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 95230982
2-(diethylamino)-1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]ethanone
CID 129330524
(9aS)-6,9-dioxo-N-[2-(4-propylphenoxy)ethyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
CID 125442979
2-(diethylamino)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 111560906

Frequently Asked Questions

What is the IUPAC name of (9aS)-2-[2-(diethylamino)acetyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The IUPAC name of (9aS)-2-[2-(diethylamino)acetyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione (CID 95128087) is (9aS)-2-[2-(diethylamino)acetyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione.
What is the SMILES notation for (9aS)-2-[2-(diethylamino)acetyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The canonical SMILES for (9aS)-2-[2-(diethylamino)acetyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione is CCN(CC)CC(=O)N1CCN2C(=O)CNC(=O)[C@@H]2C1.
What is the InChIKey of (9aS)-2-[2-(diethylamino)acetyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The InChIKey is DTRGMJFAIZCWBL-JTQLQIEISA-N. The full InChI is InChI=1S/C13H22N4O3/c1-3-15(4-2)9-12(19)16-5-6-17-10(8-16)13(20)14-7-11(17)18/h10H,3-9H2,1-2H3,(H,14,20)/t10-/m0/s1.
What are the key properties of (9aS)-2-[2-(diethylamino)acetyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
(9aS)-2-[2-(diethylamino)acetyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione has a molecular weight of 282.34 g/mol, XLogP of -1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9aS)-2-[2-(diethylamino)acetyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione is sourced from PubChem (CID 95128087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).