(7S,9aR)-N-cyclohexyl-7,8-dimethyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide

C16H26N4O3 — CID 126460926

IUPAC(7S,9aR)-N-cyclohexyl-7,8-dimethyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
SMILESC[C@H]1C(=O)N2CCN(C(=O)NC3CCCCC3)C[C@@H]2C(=O)N1C
InChIInChI=1S/C16H26N4O3/c1-11-14(21)20-9-8-19(10-13(20)15(22)18(11)2)16(23)17-12-6-4-3-5-7-12/h11-13H,3-10H2,1-2H3,(H,17,23)/t11-,13+/m0/s1
InChIKeyXFUYQGPRIPZPHU-WCQYABFASA-N
MW322.41 g/mol
LogP0.40
Rot. Bonds1

About (7S,9aR)-N-cyclohexyl-7,8-dimethyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide

(7S,9aR)-N-cyclohexyl-7,8-dimethyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide (PubChem CID 126460926) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is (7S,9aR)-N-cyclohexyl-7,8-dimethyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name(7S,9aR)-N-cyclohexyl-7,8-dimethyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
PubChem CID126460926
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name(7S,9aR)-N-cyclohexyl-7,8-dimethyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
SMILESC[C@H]1C(=O)N2CCN(C(=O)NC3CCCCC3)C[C@@H]2C(=O)N1C
InChIInChI=1S/C16H26N4O3/c1-11-14(21)20-9-8-19(10-13(20)15(22)18(11)2)16(23)17-12-6-4-3-5-7-12/h11-13H,3-10H2,1-2H3,(H,17,23)/t11-,13+/m0/s1
InChIKeyXFUYQGPRIPZPHU-WCQYABFASA-N
XLogP0.40
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (7S,9aR)-N-cyclohexyl-7,8-dimethyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7S,9aR)-N-cyclohexyl-7,8-dimethyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of (7S,9aR)-N-cyclohexyl-7,8-dimethyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide (CID 126460926) is (7S,9aR)-N-cyclohexyl-7,8-dimethyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for (7S,9aR)-N-cyclohexyl-7,8-dimethyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for (7S,9aR)-N-cyclohexyl-7,8-dimethyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide is C[C@H]1C(=O)N2CCN(C(=O)NC3CCCCC3)C[C@@H]2C(=O)N1C.
What is the InChIKey of (7S,9aR)-N-cyclohexyl-7,8-dimethyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide?
The InChIKey is XFUYQGPRIPZPHU-WCQYABFASA-N. The full InChI is InChI=1S/C16H26N4O3/c1-11-14(21)20-9-8-19(10-13(20)15(22)18(11)2)16(23)17-12-6-4-3-5-7-12/h11-13H,3-10H2,1-2H3,(H,17,23)/t11-,13+/m0/s1.
What are the key properties of (7S,9aR)-N-cyclohexyl-7,8-dimethyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide?
(7S,9aR)-N-cyclohexyl-7,8-dimethyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,9aR)-N-cyclohexyl-7,8-dimethyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 126460926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).