1-[(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-2-(2-methoxyphenoxy)-2-methylpropan-1-one

C19H29N3O3 — CID 95123683

IUPAC1-[(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-2-(2-methoxyphenoxy)-2-methylpropan-1-one
SMILESCOc1ccccc1OC(C)(C)C(=O)N1CCN2CCN(C)C[C@@H]2C1
InChIInChI=1S/C19H29N3O3/c1-19(2,25-17-8-6-5-7-16(17)24-4)18(23)22-12-11-21-10-9-20(3)13-15(21)14-22/h5-8,15H,9-14H2,1-4H3/t15-/m1/s1
InChIKeyMUFJIHHCBQLOEG-OAHLLOKOSA-N
MW347.46 g/mol
LogP1.31
Rot. Bonds4

About 1-[(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-2-(2-methoxyphenoxy)-2-methylpropan-1-one

1-[(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-2-(2-methoxyphenoxy)-2-methylpropan-1-one (PubChem CID 95123683) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-[(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-2-(2-methoxyphenoxy)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-2-(2-methoxyphenoxy)-2-methylpropan-1-one
PubChem CID95123683
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name1-[(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-2-(2-methoxyphenoxy)-2-methylpropan-1-one
SMILESCOc1ccccc1OC(C)(C)C(=O)N1CCN2CCN(C)C[C@@H]2C1
InChIInChI=1S/C19H29N3O3/c1-19(2,25-17-8-6-5-7-16(17)24-4)18(23)22-12-11-21-10-9-20(3)13-15(21)14-22/h5-8,15H,9-14H2,1-4H3/t15-/m1/s1
InChIKeyMUFJIHHCBQLOEG-OAHLLOKOSA-N
XLogP1.31
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-(2-methoxyphenoxy)-2-methyl-1-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]propan-1-one
CID 135095067
1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(2-methoxyphenoxy)-2-methylpropan-1-one
CID 17337708
(9aR)-N-[2-(4-methoxyphenyl)ethyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 98742869
(9aS)-N-[2-(4-methoxyphenyl)ethyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 95127897
2-[2-(2-methoxyphenoxy)-2-methylpropanoyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 138807867
(3S,8aR)-2-[2-(2-methoxyphenoxy)-2-methylpropanoyl]-3-methyl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one
CID 137335564
3-(1,3-dihydroisoindol-2-yl)-1-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)propan-1-one
CID 50976959
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one
CID 110109673
(3-chloro-5-methoxyphenyl)-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone
CID 50955951
(4-cyclopentylpiperazin-1-yl)-(2-methoxyphenyl)methanone
CID 796432
2-(2-methoxyphenoxy)-2-methyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
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1-[1-[2-(2-methoxyphenoxy)acetyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121153845

Frequently Asked Questions

What is the IUPAC name of 1-[(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-2-(2-methoxyphenoxy)-2-methylpropan-1-one?
The IUPAC name of 1-[(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-2-(2-methoxyphenoxy)-2-methylpropan-1-one (CID 95123683) is 1-[(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-2-(2-methoxyphenoxy)-2-methylpropan-1-one.
What is the SMILES notation for 1-[(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-2-(2-methoxyphenoxy)-2-methylpropan-1-one?
The canonical SMILES for 1-[(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-2-(2-methoxyphenoxy)-2-methylpropan-1-one is COc1ccccc1OC(C)(C)C(=O)N1CCN2CCN(C)C[C@@H]2C1.
What is the InChIKey of 1-[(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-2-(2-methoxyphenoxy)-2-methylpropan-1-one?
The InChIKey is MUFJIHHCBQLOEG-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-19(2,25-17-8-6-5-7-16(17)24-4)18(23)22-12-11-21-10-9-20(3)13-15(21)14-22/h5-8,15H,9-14H2,1-4H3/t15-/m1/s1.
What are the key properties of 1-[(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-2-(2-methoxyphenoxy)-2-methylpropan-1-one?
1-[(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-2-(2-methoxyphenoxy)-2-methylpropan-1-one has a molecular weight of 347.46 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-2-(2-methoxyphenoxy)-2-methylpropan-1-one is sourced from PubChem (CID 95123683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).