2-(3-amino-5-fluoropiperidin-4-yl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one

C13H24FN5O — CID 123645954

IUPAC2-(3-amino-5-fluoropiperidin-4-yl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
SMILESCN1CCN2CCN(C3C(N)CNCC3F)CC2C1=O
InChIInChI=1S/C13H24FN5O/c1-17-2-3-18-4-5-19(8-11(18)13(17)20)12-9(14)6-16-7-10(12)15/h9-12,16H,2-8,15H2,1H3
InChIKeyIXESHURSVLKKAZ-UHFFFAOYSA-N
MW285.37 g/mol
LogP-1.92
Rot. Bonds1

About 2-(3-amino-5-fluoropiperidin-4-yl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one

2-(3-amino-5-fluoropiperidin-4-yl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one (PubChem CID 123645954) has the molecular formula C13H24FN5O and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-(3-amino-5-fluoropiperidin-4-yl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one.

Molecular Properties

Compound Name2-(3-amino-5-fluoropiperidin-4-yl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
PubChem CID123645954
Molecular FormulaC13H24FN5O
Molecular Weight285.37 g/mol
Exact Mass285.20
IUPAC Name2-(3-amino-5-fluoropiperidin-4-yl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
SMILESCN1CCN2CCN(C3C(N)CNCC3F)CC2C1=O
InChIInChI=1S/C13H24FN5O/c1-17-2-3-18-4-5-19(8-11(18)13(17)20)12-9(14)6-16-7-10(12)15/h9-12,16H,2-8,15H2,1H3
InChIKeyIXESHURSVLKKAZ-UHFFFAOYSA-N
XLogP-1.92
TPSA64.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 5-1.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,6-Bis(piperidin-1-ylmethyl)piperazine-2,5-dione
CID 320052
(9aR)-2-(1-acetylpiperidine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 7156157
3-(1,3,4,6,7,8,9,9a-Octahydropyrido[1,2-a]pyrazin-2-yl)piperidin-2-one
CID 127595707
(2S)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(trifluoromethylamino)propan-1-one
CID 21060519
N-ethyl-4-piperidin-4-yl-1-(2,2,2-trifluoroacetyl)piperazine-2-carboxamide
CID 86245713
4-(3-Amino-5-fluoropiperidin-4-yl)-1-methylpiperazin-2-one
CID 123300320
2-(3-amino-5-fluoropiperidin-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one
CID 123557489
1-[1-(3-Amino-5-fluoropiperidin-4-yl)piperidin-4-yl]-4-methylpiperazin-2-one
CID 129133373
1-[[1-(3-Amino-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-4-methylpiperazin-2-one
CID 134340127
1-(3-Fluoropiperidin-1-yl)-2-[(1-propan-2-ylpiperidin-4-yl)amino]ethanone
CID 138607828
1-[1-[(5S)-3-amino-5-fluoropiperidin-4-yl]piperidin-4-yl]-4-methylpiperazin-2-one
CID 138645801
N,N-diethyl-4-piperidin-4-yl-1-(2,2,2-trifluoroacetyl)piperazine-2-carboxamide
CID 140053331

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-fluoropiperidin-4-yl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
The IUPAC name of 2-(3-amino-5-fluoropiperidin-4-yl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one (CID 123645954) is 2-(3-amino-5-fluoropiperidin-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-amino-5-fluoropiperidin-4-yl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
The canonical SMILES for 2-(3-amino-5-fluoropiperidin-4-yl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one is CN1CCN2CCN(C3C(N)CNCC3F)CC2C1=O.
What is the InChIKey of 2-(3-amino-5-fluoropiperidin-4-yl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
The InChIKey is IXESHURSVLKKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FN5O/c1-17-2-3-18-4-5-19(8-11(18)13(17)20)12-9(14)6-16-7-10(12)15/h9-12,16H,2-8,15H2,1H3.
What are the key properties of 2-(3-amino-5-fluoropiperidin-4-yl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
2-(3-amino-5-fluoropiperidin-4-yl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one has a molecular weight of 285.37 g/mol, XLogP of -1.92, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-fluoropiperidin-4-yl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one is sourced from PubChem (CID 123645954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).