(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(4-methylpiperidin-4-yl)methanone

C15H28N4O — CID 50978431

IUPAC(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(4-methylpiperidin-4-yl)methanone
SMILESCN1CCN2CCN(C(=O)C3(C)CCNCC3)CC2C1
InChIInChI=1S/C15H28N4O/c1-15(3-5-16-6-4-15)14(20)19-10-9-18-8-7-17(2)11-13(18)12-19/h13,16H,3-12H2,1-2H3
InChIKeyPOSWOPHCYYOQIF-UHFFFAOYSA-N
MW280.42 g/mol
LogP-0.17
Rot. Bonds1

About (8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(4-methylpiperidin-4-yl)methanone

(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(4-methylpiperidin-4-yl)methanone (PubChem CID 50978431) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is (8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(4-methylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(4-methylpiperidin-4-yl)methanone
PubChem CID50978431
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(4-methylpiperidin-4-yl)methanone
SMILESCN1CCN2CCN(C(=O)C3(C)CCNCC3)CC2C1
InChIInChI=1S/C15H28N4O/c1-15(3-5-16-6-4-15)14(20)19-10-9-18-8-7-17(2)11-13(18)12-19/h13,16H,3-12H2,1-2H3
InChIKeyPOSWOPHCYYOQIF-UHFFFAOYSA-N
XLogP-0.17
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(4-methylpiperidin-4-yl)methanone with MolForge

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Related Compounds

(9aR)-2-(1-acetylpiperidine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 7156157
4-(1-Methylpiperidine-4-carbonyl)-1-piperidin-4-ylpiperazin-2-one
CID 134789946
[4-(3-Fluoro-5-methylpiperidin-4-yl)piperazin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 144642085
2-methyl-8-piperidin-4-ylhexahydro-2H-pyrazino[1,2-a]pyrazin-1(6H)-one
CID 50958892
3-(3-Piperazin-1-ylpropanoyl)-3,9-diazaspiro[5.5]undecane
CID 56863399
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2,2-dimethylpropanamide
CID 952724
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbutanamide
CID 4262077
N-(1-azabicyclo[2.2.2]octan-3-yl)butanamide
CID 4427592
N-(1-azabicyclo[2.2.2]octan-3-yl)-2,2-dimethylpropanamide
CID 5041627
N-(1-azabicyclo[2.2.2]octan-3-yl)pentanamide
CID 5221684
2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-3,3-dimethylbutanamide
CID 17918478
N-(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)pentanamide
CID 59019150

Frequently Asked Questions

What is the IUPAC name of (8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(4-methylpiperidin-4-yl)methanone?
The IUPAC name of (8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(4-methylpiperidin-4-yl)methanone (CID 50978431) is (8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(4-methylpiperidin-4-yl)methanone.
What is the SMILES notation for (8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(4-methylpiperidin-4-yl)methanone?
The canonical SMILES for (8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(4-methylpiperidin-4-yl)methanone is CN1CCN2CCN(C(=O)C3(C)CCNCC3)CC2C1.
What is the InChIKey of (8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(4-methylpiperidin-4-yl)methanone?
The InChIKey is POSWOPHCYYOQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-15(3-5-16-6-4-15)14(20)19-10-9-18-8-7-17(2)11-13(18)12-19/h13,16H,3-12H2,1-2H3.
What are the key properties of (8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(4-methylpiperidin-4-yl)methanone?
(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(4-methylpiperidin-4-yl)methanone has a molecular weight of 280.42 g/mol, XLogP of -0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(4-methylpiperidin-4-yl)methanone is sourced from PubChem (CID 50978431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).