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

C15H25N3O2 — CID 56859021

IUPAC(7R,9aR)-2-(cyclohexylmethyl)-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
SMILESC[C@H]1NC(=O)[C@H]2CN(CC3CCCCC3)CCN2C1=O
InChIInChI=1S/C15H25N3O2/c1-11-15(20)18-8-7-17(10-13(18)14(19)16-11)9-12-5-3-2-4-6-12/h11-13H,2-10H2,1H3,(H,16,19)/t11-,13-/m1/s1
InChIKeySCDCVAQLNQIWKT-DGCLKSJQSA-N
MW279.38 g/mol
LogP0.60
Rot. Bonds2

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

(7R,9aR)-2-(cyclohexylmethyl)-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione (PubChem CID 56859021) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is (7R,9aR)-2-(cyclohexylmethyl)-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione.

Molecular Properties

Compound Name(7R,9aR)-2-(cyclohexylmethyl)-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
PubChem CID56859021
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name(7R,9aR)-2-(cyclohexylmethyl)-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
SMILESC[C@H]1NC(=O)[C@H]2CN(CC3CCCCC3)CCN2C1=O
InChIInChI=1S/C15H25N3O2/c1-11-15(20)18-8-7-17(10-13(18)14(19)16-11)9-12-5-3-2-4-6-12/h11-13H,2-10H2,1H3,(H,16,19)/t11-,13-/m1/s1
InChIKeySCDCVAQLNQIWKT-DGCLKSJQSA-N
XLogP0.60
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7S,9aR)-2,7-bis(cyclohexylmethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 126461407
(3R,9R)-11-(cyclohexylmethyl)-1,7,11-triazatricyclo[7.4.0.03,7]tridecane-2,8-dione
CID 126460909
(7R,9aR)-2-(cyclohexylmethyl)-7-[(4-hydroxyphenyl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 126461247
(7R,9aR)-2-(cyclopropylmethyl)-7-(2-methylpropyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 56853247
(3S,8aR)-3-methyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 5325711
(7R,9aR)-2-[(2-fluoro-5-methylphenyl)methyl]-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 56856890
(3S)-8-amino-3-methyl-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4-dione
CID 82398956
1-(cyclopentylmethyl)-6-cyclopropyl-3-methylpiperazine-2,5-dione
CID 64874680
(7R,9aR)-7-methyl-2-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 56859834
(7S,9aR)-7-(cyclohexylmethyl)-2-(thiophen-3-ylmethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 56857640
(7S,9aR)-7-[(2S)-butan-2-yl]-2-(2-methylpropyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 126461458
(3S,9aR)-3-methyl-3,6,7,8,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazin-8-ium-1,4-dione
CID 7161708

Frequently Asked Questions

What is the IUPAC name of (7R,9aR)-2-(cyclohexylmethyl)-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The IUPAC name of (7R,9aR)-2-(cyclohexylmethyl)-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione (CID 56859021) is (7R,9aR)-2-(cyclohexylmethyl)-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione.
What is the SMILES notation for (7R,9aR)-2-(cyclohexylmethyl)-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The canonical SMILES for (7R,9aR)-2-(cyclohexylmethyl)-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione is C[C@H]1NC(=O)[C@H]2CN(CC3CCCCC3)CCN2C1=O.
What is the InChIKey of (7R,9aR)-2-(cyclohexylmethyl)-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The InChIKey is SCDCVAQLNQIWKT-DGCLKSJQSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11-15(20)18-8-7-17(10-13(18)14(19)16-11)9-12-5-3-2-4-6-12/h11-13H,2-10H2,1H3,(H,16,19)/t11-,13-/m1/s1.
What are the key properties of (7R,9aR)-2-(cyclohexylmethyl)-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
(7R,9aR)-2-(cyclohexylmethyl)-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione has a molecular weight of 279.38 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,9aR)-2-(cyclohexylmethyl)-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione is sourced from PubChem (CID 56859021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).