2-(3-aminopiperidin-4-yl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one

C13H25N5O — CID 123811762

IUPAC2-(3-aminopiperidin-4-yl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
SMILESCN1CCN2CCN(C3CCNCC3N)CC2C1=O
InChIInChI=1S/C13H25N5O/c1-16-4-5-17-6-7-18(9-12(17)13(16)19)11-2-3-15-8-10(11)14/h10-12,15H,2-9,14H2,1H3
InChIKeyUTSIPHYIGNKBLK-UHFFFAOYSA-N
MW267.38 g/mol
LogP-1.87
Rot. Bonds1

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

2-(3-aminopiperidin-4-yl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one (PubChem CID 123811762) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-(3-aminopiperidin-4-yl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one.

Molecular Properties

Compound Name2-(3-aminopiperidin-4-yl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
PubChem CID123811762
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name2-(3-aminopiperidin-4-yl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
SMILESCN1CCN2CCN(C3CCNCC3N)CC2C1=O
InChIInChI=1S/C13H25N5O/c1-16-4-5-17-6-7-18(9-12(17)13(16)19)11-2-3-15-8-10(11)14/h10-12,15H,2-9,14H2,1H3
InChIKeyUTSIPHYIGNKBLK-UHFFFAOYSA-N
XLogP-1.87
TPSA64.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 5-1.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopiperidin-4-yl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
The IUPAC name of 2-(3-aminopiperidin-4-yl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one (CID 123811762) is 2-(3-aminopiperidin-4-yl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one.
What is the SMILES notation for 2-(3-aminopiperidin-4-yl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
The canonical SMILES for 2-(3-aminopiperidin-4-yl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one is CN1CCN2CCN(C3CCNCC3N)CC2C1=O.
What is the InChIKey of 2-(3-aminopiperidin-4-yl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
The InChIKey is UTSIPHYIGNKBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-16-4-5-17-6-7-18(9-12(17)13(16)19)11-2-3-15-8-10(11)14/h10-12,15H,2-9,14H2,1H3.
What are the key properties of 2-(3-aminopiperidin-4-yl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
2-(3-aminopiperidin-4-yl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one has a molecular weight of 267.38 g/mol, XLogP of -1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopiperidin-4-yl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one is sourced from PubChem (CID 123811762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).