2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione

C16H28N4O3 — CID 50985000

IUPAC2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
SMILESCOCCN1CCC(CN2CCN3C(=O)CNC(=O)C3C2)CC1
InChIInChI=1S/C16H28N4O3/c1-23-9-8-18-4-2-13(3-5-18)11-19-6-7-20-14(12-19)16(22)17-10-15(20)21/h13-14H,2-12H2,1H3,(H,17,22)
InChIKeyLMBFLDTZTWPMTM-UHFFFAOYSA-N
MW324.43 g/mol
LogP-1.01
Rot. Bonds5

About 2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione

2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione (PubChem CID 50985000) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione.

Molecular Properties

Compound Name2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
PubChem CID50985000
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC Name2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
SMILESCOCCN1CCC(CN2CCN3C(=O)CNC(=O)C3C2)CC1
InChIInChI=1S/C16H28N4O3/c1-23-9-8-18-4-2-13(3-5-18)11-19-6-7-20-14(12-19)16(22)17-10-15(20)21/h13-14H,2-12H2,1H3,(H,17,22)
InChIKeyLMBFLDTZTWPMTM-UHFFFAOYSA-N
XLogP-1.01
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 5-1.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The IUPAC name of 2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione (CID 50985000) is 2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione.
What is the SMILES notation for 2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The canonical SMILES for 2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione is COCCN1CCC(CN2CCN3C(=O)CNC(=O)C3C2)CC1.
What is the InChIKey of 2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The InChIKey is LMBFLDTZTWPMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3/c1-23-9-8-18-4-2-13(3-5-18)11-19-6-7-20-14(12-19)16(22)17-10-15(20)21/h13-14H,2-12H2,1H3,(H,17,22).
What are the key properties of 2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione has a molecular weight of 324.43 g/mol, XLogP of -1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione is sourced from PubChem (CID 50985000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).