1-(3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl)-2-phenoxyethanone

C19H20N2O2 — CID 110710820

IUPAC1-(3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl)-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCN2c3ccccc3CC2C1
InChIInChI=1S/C19H20N2O2/c22-19(14-23-17-7-2-1-3-8-17)20-10-11-21-16(13-20)12-15-6-4-5-9-18(15)21/h1-9,16H,10-14H2
InChIKeyXRAUEFQNIAMSKO-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.34
Rot. Bonds3

About 1-(3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl)-2-phenoxyethanone

1-(3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl)-2-phenoxyethanone (PubChem CID 110710820) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-(3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl)-2-phenoxyethanone.

Molecular Properties

Compound Name1-(3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl)-2-phenoxyethanone
PubChem CID110710820
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name1-(3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl)-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCN2c3ccccc3CC2C1
InChIInChI=1S/C19H20N2O2/c22-19(14-23-17-7-2-1-3-8-17)20-10-11-21-16(13-20)12-15-6-4-5-9-18(15)21/h1-9,16H,10-14H2
InChIKeyXRAUEFQNIAMSKO-UHFFFAOYSA-N
XLogP2.34
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenoxyethanone
CID 807242
1-[(3aR)-1,2,3,3a,4,6-hexahydropyrrolo[1,2-a][1,4]benzodiazepin-5-yl]-2-[4-(hydroxymethyl)phenoxy]ethanone
CID 154867335
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-phenoxyethanone
CID 670243
1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone
CID 40543103
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 62069426
1-(3-methoxypyrrolidin-1-yl)-2-phenoxyethanone
CID 108730501
1-(2-fluorophenyl)-4-[4-(2-phenoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 42652011
2-(4-fluorophenoxy)-1-(3-methyl-4-phenylpiperazin-1-yl)ethanone
CID 110707721
1-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(4-phenylphenoxy)ethanone
CID 35527670
1-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-2-pyridin-3-yloxyethanone
CID 56742518
1-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-phenylethanone
CID 695003

Frequently Asked Questions

What is the IUPAC name of 1-(3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl)-2-phenoxyethanone?
The IUPAC name of 1-(3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl)-2-phenoxyethanone (CID 110710820) is 1-(3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl)-2-phenoxyethanone.
What is the SMILES notation for 1-(3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl)-2-phenoxyethanone?
The canonical SMILES for 1-(3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl)-2-phenoxyethanone is O=C(COc1ccccc1)N1CCN2c3ccccc3CC2C1.
What is the InChIKey of 1-(3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl)-2-phenoxyethanone?
The InChIKey is XRAUEFQNIAMSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c22-19(14-23-17-7-2-1-3-8-17)20-10-11-21-16(13-20)12-15-6-4-5-9-18(15)21/h1-9,16H,10-14H2.
What are the key properties of 1-(3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl)-2-phenoxyethanone?
1-(3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl)-2-phenoxyethanone has a molecular weight of 308.38 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl)-2-phenoxyethanone is sourced from PubChem (CID 110710820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).