1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-3-(4-methoxyphenyl)propan-1-one

C21H22N2O2 — CID 110646946

IUPAC1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-3-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(CCC(=O)N2CCn3c(cc4ccccc43)C2)cc1
InChIInChI=1S/C21H22N2O2/c1-25-19-9-6-16(7-10-19)8-11-21(24)22-12-13-23-18(15-22)14-17-4-2-3-5-20(17)23/h2-7,9-10,14H,8,11-13,15H2,1H3
InChIKeyTXFOXYJSQLMDKI-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.62
Rot. Bonds4

About 1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-3-(4-methoxyphenyl)propan-1-one

1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-3-(4-methoxyphenyl)propan-1-one (PubChem CID 110646946) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-3-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-3-(4-methoxyphenyl)propan-1-one
PubChem CID110646946
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-3-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(CCC(=O)N2CCn3c(cc4ccccc43)C2)cc1
InChIInChI=1S/C21H22N2O2/c1-25-19-9-6-16(7-10-19)8-11-21(24)22-12-13-23-18(15-22)14-17-4-2-3-5-20(17)23/h2-7,9-10,14H,8,11-13,15H2,1H3
InChIKeyTXFOXYJSQLMDKI-UHFFFAOYSA-N
XLogP3.62
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-(4-ethoxyphenyl)ethanone
CID 110646913
methyl 3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate
CID 110646938
3-(4-methoxyphenyl)-1-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]propan-1-one
CID 48873820
2-(4-chlorophenyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)ethanone
CID 110646911
1-[4-(3-aminopropanoyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 119306765
1-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]butan-1-one
CID 110365914
3-(4-methoxyphenyl)-1-[4-(2-naphthalen-1-yloxyacetyl)piperazin-1-yl]propan-1-one
CID 112823833
1-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylpropan-1-one
CID 15718698
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 110346884
2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]acetic acid
CID 119134967
3-(4-methoxyphenyl)-1-[4-(2-methoxy-2-phenylacetyl)piperazin-1-yl]propan-1-one
CID 60591801
3-(4-methoxyphenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-1-one
CID 25236883

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-3-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-3-(4-methoxyphenyl)propan-1-one (CID 110646946) is 1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-3-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-3-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-3-(4-methoxyphenyl)propan-1-one is COc1ccc(CCC(=O)N2CCn3c(cc4ccccc43)C2)cc1.
What is the InChIKey of 1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-3-(4-methoxyphenyl)propan-1-one?
The InChIKey is TXFOXYJSQLMDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-25-19-9-6-16(7-10-19)8-11-21(24)22-12-13-23-18(15-22)14-17-4-2-3-5-20(17)23/h2-7,9-10,14H,8,11-13,15H2,1H3.
What are the key properties of 1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-3-(4-methoxyphenyl)propan-1-one?
1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-3-(4-methoxyphenyl)propan-1-one has a molecular weight of 334.42 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-3-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 110646946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).