7-(cyclohexylmethyl)-2-(2-hydroxyacetyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione

C16H25N3O4 — CID 73134596

IUPAC7-(cyclohexylmethyl)-2-(2-hydroxyacetyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
SMILESO=C1NC(CC2CCCCC2)C(=O)N2CCN(C(=O)CO)CC12
InChIInChI=1S/C16H25N3O4/c20-10-14(21)18-6-7-19-13(9-18)15(22)17-12(16(19)23)8-11-4-2-1-3-5-11/h11-13,20H,1-10H2,(H,17,22)
InChIKeyYJVQFLJGODCPCV-UHFFFAOYSA-N
MW323.39 g/mol
LogP-0.51
Rot. Bonds3

About 7-(cyclohexylmethyl)-2-(2-hydroxyacetyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione

7-(cyclohexylmethyl)-2-(2-hydroxyacetyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione (PubChem CID 73134596) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is 7-(cyclohexylmethyl)-2-(2-hydroxyacetyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione.

Molecular Properties

Compound Name7-(cyclohexylmethyl)-2-(2-hydroxyacetyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
PubChem CID73134596
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Name7-(cyclohexylmethyl)-2-(2-hydroxyacetyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
SMILESO=C1NC(CC2CCCCC2)C(=O)N2CCN(C(=O)CO)CC12
InChIInChI=1S/C16H25N3O4/c20-10-14(21)18-6-7-19-13(9-18)15(22)17-12(16(19)23)8-11-4-2-1-3-5-11/h11-13,20H,1-10H2,(H,17,22)
InChIKeyYJVQFLJGODCPCV-UHFFFAOYSA-N
XLogP-0.51
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(7S,9aR)-7-(cyclohexylmethyl)-2-(4-methylbenzoyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 56855220
(7S,9aR)-2,7-bis(cyclohexylmethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 126461407
(7S,9aR)-7-(cyclohexylmethyl)-2-(2,5-difluorobenzoyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 56855307
(7R,9aR)-2-(2-hydroxyacetyl)-7-(thiophen-2-ylmethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 11865550
(7S,9aR)-7-(cyclohexylmethyl)-N-(3-methoxyphenyl)-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
CID 7161748
3-(cyclohexylmethyl)-3,6,7,8,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione
CID 73134613
(7S,9aR)-N-cyclohexyl-7-ethyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
CID 56859198
7-benzyl-2-(cyclohexanecarbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 73135129
7-[(4-hydroxyphenyl)methyl]-2-(2-methoxyacetyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 78454343
(7S,9aS)-2-(2-methoxyacetyl)-7-[(4-methoxyphenyl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 7156132
(7S,9aR)-7-(cyclohexylmethyl)-2-[(1-phenylpyrazol-4-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 56860184
(7R,9aR)-7-(hydroxymethyl)-2-(naphthalene-2-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 56857921

Frequently Asked Questions

What is the IUPAC name of 7-(cyclohexylmethyl)-2-(2-hydroxyacetyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The IUPAC name of 7-(cyclohexylmethyl)-2-(2-hydroxyacetyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione (CID 73134596) is 7-(cyclohexylmethyl)-2-(2-hydroxyacetyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione.
What is the SMILES notation for 7-(cyclohexylmethyl)-2-(2-hydroxyacetyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The canonical SMILES for 7-(cyclohexylmethyl)-2-(2-hydroxyacetyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione is O=C1NC(CC2CCCCC2)C(=O)N2CCN(C(=O)CO)CC12.
What is the InChIKey of 7-(cyclohexylmethyl)-2-(2-hydroxyacetyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The InChIKey is YJVQFLJGODCPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4/c20-10-14(21)18-6-7-19-13(9-18)15(22)17-12(16(19)23)8-11-4-2-1-3-5-11/h11-13,20H,1-10H2,(H,17,22).
What are the key properties of 7-(cyclohexylmethyl)-2-(2-hydroxyacetyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
7-(cyclohexylmethyl)-2-(2-hydroxyacetyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione has a molecular weight of 323.39 g/mol, XLogP of -0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohexylmethyl)-2-(2-hydroxyacetyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione is sourced from PubChem (CID 73134596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).