3-(cyclohexylmethyl)-3,6,7,8,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione

C14H23N3O2 — CID 73134613

IUPAC3-(cyclohexylmethyl)-3,6,7,8,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione
SMILESO=C1NC(CC2CCCCC2)C(=O)N2CCNCC12
InChIInChI=1S/C14H23N3O2/c18-13-12-9-15-6-7-17(12)14(19)11(16-13)8-10-4-2-1-3-5-10/h10-12,15H,1-9H2,(H,16,18)
InChIKeyIIARXVGZWBMUGN-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.26
Rot. Bonds2

About 3-(cyclohexylmethyl)-3,6,7,8,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione

3-(cyclohexylmethyl)-3,6,7,8,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione (PubChem CID 73134613) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-3,6,7,8,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-3,6,7,8,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione
PubChem CID73134613
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-(cyclohexylmethyl)-3,6,7,8,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione
SMILESO=C1NC(CC2CCCCC2)C(=O)N2CCNCC12
InChIInChI=1S/C14H23N3O2/c18-13-12-9-15-6-7-17(12)14(19)11(16-13)8-10-4-2-1-3-5-10/h10-12,15H,1-9H2,(H,16,18)
InChIKeyIIARXVGZWBMUGN-UHFFFAOYSA-N
XLogP0.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.26
H-Bond Donors ≤ 52
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
7-(cyclohexylmethyl)-2-(2-hydroxyacetyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 73134596
(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)-7-(cyclohexylmethyl)-2-(2,5-difluorobenzoyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 56855307
(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-(cyclohexylmethyl)-2-[(1-phenylpyrazol-4-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 56860184
(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
3,6,7,8,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione;hydrochloride
CID 146675737
(7R,9aR)-2-(cyclohexylmethyl)-7-[(4-hydroxyphenyl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 126461247
(3S)-3-(cyclohexylmethyl)pyrrolidine
CID 86324106
(7R,9aR)-2-(cyclohexylmethyl)-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 56859021
ethyl (4R,7Z,14S)-14-amino-2,15-dioxo-3,16,19-triazatricyclo[14.4.0.04,6]icos-7-ene-4-carboxylate
CID 59844510

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-3,6,7,8,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 3-(cyclohexylmethyl)-3,6,7,8,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione (CID 73134613) is 3-(cyclohexylmethyl)-3,6,7,8,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 3-(cyclohexylmethyl)-3,6,7,8,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 3-(cyclohexylmethyl)-3,6,7,8,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione is O=C1NC(CC2CCCCC2)C(=O)N2CCNCC12.
What is the InChIKey of 3-(cyclohexylmethyl)-3,6,7,8,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione?
The InChIKey is IIARXVGZWBMUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c18-13-12-9-15-6-7-17(12)14(19)11(16-13)8-10-4-2-1-3-5-10/h10-12,15H,1-9H2,(H,16,18).
What are the key properties of 3-(cyclohexylmethyl)-3,6,7,8,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione?
3-(cyclohexylmethyl)-3,6,7,8,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione has a molecular weight of 265.36 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-3,6,7,8,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 73134613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).