2-(6-piperidin-1-ylpyrimidin-4-yl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one

C16H24N6O — CID 50972592

IUPAC2-(6-piperidin-1-ylpyrimidin-4-yl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
SMILESO=C1NCCN2CCN(c3cc(N4CCCCC4)ncn3)CC12
InChIInChI=1S/C16H24N6O/c23-16-13-11-22(9-8-20(13)7-4-17-16)15-10-14(18-12-19-15)21-5-2-1-3-6-21/h10,12-13H,1-9,11H2,(H,17,23)
InChIKeyLORWRWLSBNDPJM-UHFFFAOYSA-N
MW316.41 g/mol
LogP0.09
Rot. Bonds2

About 2-(6-piperidin-1-ylpyrimidin-4-yl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one

2-(6-piperidin-1-ylpyrimidin-4-yl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one (PubChem CID 50972592) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 2-(6-piperidin-1-ylpyrimidin-4-yl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one.

Molecular Properties

Compound Name2-(6-piperidin-1-ylpyrimidin-4-yl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
PubChem CID50972592
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name2-(6-piperidin-1-ylpyrimidin-4-yl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
SMILESO=C1NCCN2CCN(c3cc(N4CCCCC4)ncn3)CC12
InChIInChI=1S/C16H24N6O/c23-16-13-11-22(9-8-20(13)7-4-17-16)15-10-14(18-12-19-15)21-5-2-1-3-6-21/h10,12-13H,1-9,11H2,(H,17,23)
InChIKeyLORWRWLSBNDPJM-UHFFFAOYSA-N
XLogP0.09
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(6-piperidin-1-ylpyrimidin-4-yl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one with MolForge

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Related Compounds

1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
CID 112856077
1-(6-piperidin-1-ylpyrimidin-4-yl)azetidin-3-amine
CID 174573496
4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 112855694
(8aR)-2-[6-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyrimidin-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 129429947
4-(4-methylpiperidin-1-yl)-6-piperidin-1-ylpyrimidine
CID 112856002
[1-[6-[3-(azepan-1-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133454449
1-[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 120963862
5-methyl-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 122106917
methyl 2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetate
CID 133333932
(2R)-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94074788
4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-2-carboxylic acid
CID 56877905
oxan-4-yl-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122343062

Frequently Asked Questions

What is the IUPAC name of 2-(6-piperidin-1-ylpyrimidin-4-yl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
The IUPAC name of 2-(6-piperidin-1-ylpyrimidin-4-yl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one (CID 50972592) is 2-(6-piperidin-1-ylpyrimidin-4-yl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one.
What is the SMILES notation for 2-(6-piperidin-1-ylpyrimidin-4-yl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
The canonical SMILES for 2-(6-piperidin-1-ylpyrimidin-4-yl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one is O=C1NCCN2CCN(c3cc(N4CCCCC4)ncn3)CC12.
What is the InChIKey of 2-(6-piperidin-1-ylpyrimidin-4-yl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
The InChIKey is LORWRWLSBNDPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c23-16-13-11-22(9-8-20(13)7-4-17-16)15-10-14(18-12-19-15)21-5-2-1-3-6-21/h10,12-13H,1-9,11H2,(H,17,23).
What are the key properties of 2-(6-piperidin-1-ylpyrimidin-4-yl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
2-(6-piperidin-1-ylpyrimidin-4-yl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one has a molecular weight of 316.41 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-piperidin-1-ylpyrimidin-4-yl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one is sourced from PubChem (CID 50972592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).