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

C19H28N4O — CID 50976959

IUPAC3-(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
SMILESCN1CCN2CCN(C(=O)CCN3Cc4ccccc4C3)CC2C1
InChIInChI=1S/C19H28N4O/c1-20-8-9-22-10-11-23(15-18(22)14-20)19(24)6-7-21-12-16-4-2-3-5-17(16)13-21/h2-5,18H,6-15H2,1H3
InChIKeyGRDZGMOMOGATLL-UHFFFAOYSA-N
MW328.46 g/mol
LogP0.85
Rot. Bonds3

About 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

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 (PubChem CID 50976959) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID50976959
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name3-(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
SMILESCN1CCN2CCN(C(=O)CCN3Cc4ccccc4C3)CC2C1
InChIInChI=1S/C19H28N4O/c1-20-8-9-22-10-11-23(15-18(22)14-20)19(24)6-7-21-12-16-4-2-3-5-17(16)13-21/h2-5,18H,6-15H2,1H3
InChIKeyGRDZGMOMOGATLL-UHFFFAOYSA-N
XLogP0.85
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

4-(1,3-dihydroisoindol-2-yl)-1-[(3S)-3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]butan-1-one
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CID 109017206
3-(1,3-dihydroisoindol-2-yl)-1-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]propan-1-one
CID 70717709
1-[(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-5-methylhexan-1-one
CID 95128221
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methylpiperazin-1-yl)propan-1-one
CID 110852332
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]butan-1-one;hydrochloride
CID 121017114
3-(4-methylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 110853147
1-(4-methylpiperazin-1-yl)-3-(4-phenylpiperazin-1-yl)propan-1-one
CID 109017216
1-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 118773140
4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]piperazine-1-carbaldehyde
CID 109017784
(9aS)-N-(3-ethylphenyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 98743883
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1CCN2CCN(C(=O)CCN3Cc4ccccc4C3)CC2C1.
What is the InChIKey of 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?
The InChIKey is GRDZGMOMOGATLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-20-8-9-22-10-11-23(15-18(22)14-20)19(24)6-7-21-12-16-4-2-3-5-17(16)13-21/h2-5,18H,6-15H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 328.46 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 50976959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).