(7S,9aR)-N-cyclohexyl-7-methyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide

C15H24N4O3 — CID 11886369

IUPAC(7S,9aR)-N-cyclohexyl-7-methyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
SMILESC[C@@H]1NC(=O)[C@H]2CN(C(=O)NC3CCCCC3)CCN2C1=O
InChIInChI=1S/C15H24N4O3/c1-10-14(21)19-8-7-18(9-12(19)13(20)16-10)15(22)17-11-5-3-2-4-6-11/h10-12H,2-9H2,1H3,(H,16,20)(H,17,22)/t10-,12+/m0/s1
InChIKeyFWEYHZMCEBGGBE-CMPLNLGQSA-N
MW308.38 g/mol
LogP0.06
Rot. Bonds1

About (7S,9aR)-N-cyclohexyl-7-methyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide

(7S,9aR)-N-cyclohexyl-7-methyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide (PubChem CID 11886369) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is (7S,9aR)-N-cyclohexyl-7-methyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name(7S,9aR)-N-cyclohexyl-7-methyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
PubChem CID11886369
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name(7S,9aR)-N-cyclohexyl-7-methyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
SMILESC[C@@H]1NC(=O)[C@H]2CN(C(=O)NC3CCCCC3)CCN2C1=O
InChIInChI=1S/C15H24N4O3/c1-10-14(21)19-8-7-18(9-12(19)13(20)16-10)15(22)17-11-5-3-2-4-6-11/h10-12H,2-9H2,1H3,(H,16,20)(H,17,22)/t10-,12+/m0/s1
InChIKeyFWEYHZMCEBGGBE-CMPLNLGQSA-N
XLogP0.06
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Launch Full Analysis

Related Compounds

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CID 57204132
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CID 134791220
(7S,9aR)-N-cyclohexyl-6,9-dioxo-7-propyloctahydro-2H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 56853077
(7R,9aR)-N-cyclohexyl-7-methyl-6,9-dioxooctahydro-2H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 56855774
(7S,9aR)-N-cyclohexyl-7-(2-methylpropyl)-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
CID 56858119
(6aR,11aR)-N-cyclohexyl-6,11-dioxooctahydro-6H-pyrazino[1,2-a]pyrrolo[1,2-d]pyrazine-2(1H)-carboxamide
CID 56858233
(7S,9aR)-N-cyclohexyl-7-ethyl-6,9-dioxooctahydro-2H-pyrazino[1,2-a]pyrazine-2-carboxamide
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(7R,9aR)-N-cyclohexyl-7-isobutyl-6,9-dioxooctahydro-2H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 56859369
3-oxo-4-piperidin-4-yl-N-propan-2-ylpiperazine-1-carboxamide
CID 134789055
N,N-dimethyl-3-oxo-4-piperidin-4-ylpiperazine-1-carboxamide
CID 134789624
(9aR)-N-cyclohexyl-8-methyl-6,9-dioxooctahydro-2H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 56852426
(7S,9aR)-N-cyclohexyl-7-isobutyl-8-methyl-6,9-dioxooctahydro-2H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 56854247

Frequently Asked Questions

What is the IUPAC name of (7S,9aR)-N-cyclohexyl-7-methyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of (7S,9aR)-N-cyclohexyl-7-methyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide (CID 11886369) is (7S,9aR)-N-cyclohexyl-7-methyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for (7S,9aR)-N-cyclohexyl-7-methyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for (7S,9aR)-N-cyclohexyl-7-methyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide is C[C@@H]1NC(=O)[C@H]2CN(C(=O)NC3CCCCC3)CCN2C1=O.
What is the InChIKey of (7S,9aR)-N-cyclohexyl-7-methyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide?
The InChIKey is FWEYHZMCEBGGBE-CMPLNLGQSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-10-14(21)19-8-7-18(9-12(19)13(20)16-10)15(22)17-11-5-3-2-4-6-11/h10-12H,2-9H2,1H3,(H,16,20)(H,17,22)/t10-,12+/m0/s1.
What are the key properties of (7S,9aR)-N-cyclohexyl-7-methyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide?
(7S,9aR)-N-cyclohexyl-7-methyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,9aR)-N-cyclohexyl-7-methyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 11886369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).