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

C21H24N2O2 — CID 110741626

IUPAC1-(3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl)-2-(4-ethoxyphenyl)ethanone
SMILESCCOc1ccc(CC(=O)N2CCN3c4ccccc4CC3C2)cc1
InChIInChI=1S/C21H24N2O2/c1-2-25-19-9-7-16(8-10-19)13-21(24)22-11-12-23-18(15-22)14-17-5-3-4-6-20(17)23/h3-10,18H,2,11-15H2,1H3
InChIKeyXVUZBKKRKCRPPA-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.90
Rot. Bonds4

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

1-(3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl)-2-(4-ethoxyphenyl)ethanone (PubChem CID 110741626) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-(3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl)-2-(4-ethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl)-2-(4-ethoxyphenyl)ethanone
PubChem CID110741626
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name1-(3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl)-2-(4-ethoxyphenyl)ethanone
SMILESCCOc1ccc(CC(=O)N2CCN3c4ccccc4CC3C2)cc1
InChIInChI=1S/C21H24N2O2/c1-2-25-19-9-7-16(8-10-19)13-21(24)22-11-12-23-18(15-22)14-17-5-3-4-6-20(17)23/h3-10,18H,2,11-15H2,1H3
InChIKeyXVUZBKKRKCRPPA-UHFFFAOYSA-N
XLogP2.90
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl)-2-(4-ethoxyphenyl)ethanone with MolForge

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Related Compounds

1-(3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl)-2-phenoxyethanone
CID 110710820
1-[4-[2-(4-ethoxyphenyl)acetyl]-1,4-diazepan-1-yl]-2-phenylethanone
CID 108545578
2-(4-ethoxyphenyl)-1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]ethanone
CID 110293051
(2S)-1-[2-(4-ethoxyphenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide
CID 41428965
1-(4-aminopiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone
CID 82365897
ethyl 4-[2-(4-ethoxyphenyl)acetyl]piperazine-1-carboxylate
CID 78784884
1-[3-(benzenesulfonyl)pyrrolidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 90584859
2-(4-ethoxyphenyl)-1-[3-(phenoxymethyl)piperidin-1-yl]ethanone
CID 110638412
2-(4-ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 55461138
2-(4-ethoxyphenyl)-1-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethanone
CID 90565660
1-[4-(4-ethoxyphenyl)piperazin-1-yl]-2-phenylethanone
CID 113077436
1-(3,5-dimethyl-4-phenylpiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone
CID 110602258

Frequently Asked Questions

What is the IUPAC name of 1-(3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl)-2-(4-ethoxyphenyl)ethanone?
The IUPAC name of 1-(3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl)-2-(4-ethoxyphenyl)ethanone (CID 110741626) is 1-(3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl)-2-(4-ethoxyphenyl)ethanone.
What is the SMILES notation for 1-(3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl)-2-(4-ethoxyphenyl)ethanone?
The canonical SMILES for 1-(3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl)-2-(4-ethoxyphenyl)ethanone is CCOc1ccc(CC(=O)N2CCN3c4ccccc4CC3C2)cc1.
What is the InChIKey of 1-(3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl)-2-(4-ethoxyphenyl)ethanone?
The InChIKey is XVUZBKKRKCRPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-2-25-19-9-7-16(8-10-19)13-21(24)22-11-12-23-18(15-22)14-17-5-3-4-6-20(17)23/h3-10,18H,2,11-15H2,1H3.
What are the key properties of 1-(3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl)-2-(4-ethoxyphenyl)ethanone?
1-(3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl)-2-(4-ethoxyphenyl)ethanone has a molecular weight of 336.44 g/mol, XLogP of 2.90, 4 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-(4-ethoxyphenyl)ethanone is sourced from PubChem (CID 110741626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).