3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl(thiophen-2-yl)methanone

C16H14N2OS — CID 110646888

IUPAC3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl(thiophen-2-yl)methanone
SMILESO=C(c1cccs1)N1CCn2c(cc3ccccc32)C1
InChIInChI=1S/C16H14N2OS/c19-16(15-6-3-9-20-15)17-7-8-18-13(11-17)10-12-4-1-2-5-14(12)18/h1-6,9-10H,7-8,11H2
InChIKeyWDUXYPCKVVMKQB-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.36
Rot. Bonds1

About 3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl(thiophen-2-yl)methanone

3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl(thiophen-2-yl)methanone (PubChem CID 110646888) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl(thiophen-2-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl(thiophen-2-yl)methanone
PubChem CID110646888
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl(thiophen-2-yl)methanone
SMILESO=C(c1cccs1)N1CCn2c(cc3ccccc32)C1
InChIInChI=1S/C16H14N2OS/c19-16(15-6-3-9-20-15)17-7-8-18-13(11-17)10-12-4-1-2-5-14(12)18/h1-6,9-10H,7-8,11H2
InChIKeyWDUXYPCKVVMKQB-UHFFFAOYSA-N
XLogP3.36
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate
CID 110646938
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
1-(thiophene-2-carbonyl)pyrrolidin-3-one
CID 112536071
5-(3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl)-N,N,2-trimethylbenzenesulfonamide
CID 110646920
(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
CID 19791267
1H-pyrrol-2-yl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 110801970
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-3-(4-methoxyphenyl)propan-1-one
CID 110646946
[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 75950255
(4-benzhydrylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 1154208
(4-quinolin-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 108741624
1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-(4-ethoxyphenyl)ethanone
CID 110646913

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl(thiophen-2-yl)methanone?
The IUPAC name of 3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl(thiophen-2-yl)methanone (CID 110646888) is 3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl(thiophen-2-yl)methanone.
What is the SMILES notation for 3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl(thiophen-2-yl)methanone?
The canonical SMILES for 3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl(thiophen-2-yl)methanone is O=C(c1cccs1)N1CCn2c(cc3ccccc32)C1.
What is the InChIKey of 3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl(thiophen-2-yl)methanone?
The InChIKey is WDUXYPCKVVMKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c19-16(15-6-3-9-20-15)17-7-8-18-13(11-17)10-12-4-1-2-5-14(12)18/h1-6,9-10H,7-8,11H2.
What are the key properties of 3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl(thiophen-2-yl)methanone?
3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl(thiophen-2-yl)methanone has a molecular weight of 282.37 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl(thiophen-2-yl)methanone is sourced from PubChem (CID 110646888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).