2-[2-(2-chloro-6-fluorophenyl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one

C15H17ClFN3O2 — CID 91834785

IUPAC2-[2-(2-chloro-6-fluorophenyl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
SMILESO=C1NCCN2CCN(C(=O)Cc3c(F)cccc3Cl)CC12
InChIInChI=1S/C15H17ClFN3O2/c16-11-2-1-3-12(17)10(11)8-14(21)20-7-6-19-5-4-18-15(22)13(19)9-20/h1-3,13H,4-9H2,(H,18,22)
InChIKeyARFIAPJEJFBYHI-UHFFFAOYSA-N
MW325.77 g/mol
LogP0.66
Rot. Bonds2

About 2-[2-(2-chloro-6-fluorophenyl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one

2-[2-(2-chloro-6-fluorophenyl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one (PubChem CID 91834785) has the molecular formula C15H17ClFN3O2 and a molecular weight of 325.77 g/mol. Its IUPAC name is 2-[2-(2-chloro-6-fluorophenyl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one.

Molecular Properties

Compound Name2-[2-(2-chloro-6-fluorophenyl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
PubChem CID91834785
Molecular FormulaC15H17ClFN3O2
Molecular Weight325.77 g/mol
Exact Mass325.10
IUPAC Name2-[2-(2-chloro-6-fluorophenyl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
SMILESO=C1NCCN2CCN(C(=O)Cc3c(F)cccc3Cl)CC12
InChIInChI=1S/C15H17ClFN3O2/c16-11-2-1-3-12(17)10(11)8-14(21)20-7-6-19-5-4-18-15(22)13(19)9-20/h1-3,13H,4-9H2,(H,18,22)
InChIKeyARFIAPJEJFBYHI-UHFFFAOYSA-N
XLogP0.66
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.77
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 1094119
2-(4-chlorophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 2232369
N-(1-benzylpiperidin-4-yl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 17173959
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(2-fluorophenyl)acetamide
CID 24758296
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(3-fluorophenyl)acetamide
CID 24758517
2-[1-(2-chloro-6-fluorobenzyl)-3-oxo-2-piperazinyl]-N-ethyl-N-(2-methyl-2-propen-1-yl)acetamide
CID 16191887
2-[1-[(2-chloro-4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-cyclooctylacetamide
CID 24790626
3-Amino-N-[(R)-1-(2,4-dichloro-benzyl)-2-oxo-2-(4-{1-[(2,2,2-trifluoro-acetylamino)-methyl]-cyclohexyl}-piperazin-1-yl)-ethyl]-propionamide
CID 44397054
3-Amino-N-{(R)-1-(2,4-dichloro-benzyl)-2-[4-(1-{[2-(4-fluoro-phenyl)-acetylamino]-methyl}-cyclohexyl)-piperazin-1-yl]-2-oxo-ethyl}-propionamide
CID 44397199
3-Amino-N-[2-[4-(1-aminomethyl-cyclohexyl)-piperazin-1-yl]-1-(2,4-dichloro-benzyl)-2-oxo-ethyl]-propionamide
CID 44397216
(2S)-N-[(2-chloro-4-fluorophenyl)methyl]-1-ethyl-6-oxopiperidine-2-carboxamide
CID 49865055
(R)-4-(3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-1-(3-chlorobenzyl)piperazin-2-one
CID 54581584

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloro-6-fluorophenyl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
The IUPAC name of 2-[2-(2-chloro-6-fluorophenyl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one (CID 91834785) is 2-[2-(2-chloro-6-fluorophenyl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one.
What is the SMILES notation for 2-[2-(2-chloro-6-fluorophenyl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
The canonical SMILES for 2-[2-(2-chloro-6-fluorophenyl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one is O=C1NCCN2CCN(C(=O)Cc3c(F)cccc3Cl)CC12.
What is the InChIKey of 2-[2-(2-chloro-6-fluorophenyl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
The InChIKey is ARFIAPJEJFBYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3O2/c16-11-2-1-3-12(17)10(11)8-14(21)20-7-6-19-5-4-18-15(22)13(19)9-20/h1-3,13H,4-9H2,(H,18,22).
What are the key properties of 2-[2-(2-chloro-6-fluorophenyl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
2-[2-(2-chloro-6-fluorophenyl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one has a molecular weight of 325.77 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloro-6-fluorophenyl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one is sourced from PubChem (CID 91834785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).