(9aS)-2-[1-(methoxymethyl)cyclopropanecarbonyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one

C14H23N3O3 — CID 95125270

IUPAC(9aS)-2-[1-(methoxymethyl)cyclopropanecarbonyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
SMILESCOCC1(C(=O)N2CCN3CCN(C)C(=O)[C@@H]3C2)CC1
InChIInChI=1S/C14H23N3O3/c1-15-5-6-16-7-8-17(9-11(16)12(15)18)13(19)14(3-4-14)10-20-2/h11H,3-10H2,1-2H3/t11-/m0/s1
InChIKeyXQJYYTJWWCJPCG-NSHDSACASA-N
MW281.36 g/mol
LogP-0.60
Rot. Bonds3

About (9aS)-2-[1-(methoxymethyl)cyclopropanecarbonyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one

(9aS)-2-[1-(methoxymethyl)cyclopropanecarbonyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one (PubChem CID 95125270) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is (9aS)-2-[1-(methoxymethyl)cyclopropanecarbonyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one.

Molecular Properties

Compound Name(9aS)-2-[1-(methoxymethyl)cyclopropanecarbonyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
PubChem CID95125270
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name(9aS)-2-[1-(methoxymethyl)cyclopropanecarbonyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
SMILESCOCC1(C(=O)N2CCN3CCN(C)C(=O)[C@@H]3C2)CC1
InChIInChI=1S/C14H23N3O3/c1-15-5-6-16-7-8-17(9-11(16)12(15)18)13(19)14(3-4-14)10-20-2/h11H,3-10H2,1-2H3/t11-/m0/s1
InChIKeyXQJYYTJWWCJPCG-NSHDSACASA-N
XLogP-0.60
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (9aS)-2-[1-(methoxymethyl)cyclopropanecarbonyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
The IUPAC name of (9aS)-2-[1-(methoxymethyl)cyclopropanecarbonyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one (CID 95125270) is (9aS)-2-[1-(methoxymethyl)cyclopropanecarbonyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one.
What is the SMILES notation for (9aS)-2-[1-(methoxymethyl)cyclopropanecarbonyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
The canonical SMILES for (9aS)-2-[1-(methoxymethyl)cyclopropanecarbonyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one is COCC1(C(=O)N2CCN3CCN(C)C(=O)[C@@H]3C2)CC1.
What is the InChIKey of (9aS)-2-[1-(methoxymethyl)cyclopropanecarbonyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
The InChIKey is XQJYYTJWWCJPCG-NSHDSACASA-N. The full InChI is InChI=1S/C14H23N3O3/c1-15-5-6-16-7-8-17(9-11(16)12(15)18)13(19)14(3-4-14)10-20-2/h11H,3-10H2,1-2H3/t11-/m0/s1.
What are the key properties of (9aS)-2-[1-(methoxymethyl)cyclopropanecarbonyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
(9aS)-2-[1-(methoxymethyl)cyclopropanecarbonyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one has a molecular weight of 281.36 g/mol, XLogP of -0.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9aS)-2-[1-(methoxymethyl)cyclopropanecarbonyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one is sourced from PubChem (CID 95125270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).