1-[4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanone

C15H20N2OS — CID 79318724

IUPAC1-[4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CC2CSc3ccccc32)CC1
InChIInChI=1S/C15H20N2OS/c1-12(18)17-8-6-16(7-9-17)10-13-11-19-15-5-3-2-4-14(13)15/h2-5,13H,6-11H2,1H3
InChIKeyCLNYKWFNJOKVSY-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.04
Rot. Bonds2

About 1-[4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanone

1-[4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 79318724) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 1-[4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanone
PubChem CID79318724
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name1-[4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CC2CSc3ccccc32)CC1
InChIInChI=1S/C15H20N2OS/c1-12(18)17-8-6-16(7-9-17)10-13-11-19-15-5-3-2-4-14(13)15/h2-5,13H,6-11H2,1H3
InChIKeyCLNYKWFNJOKVSY-UHFFFAOYSA-N
XLogP2.04
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanol
CID 79221064
N-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyrrolidin-3-yl]acetamide
CID 113402624
3-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidin-4-yl]propanoic acid
CID 79215688
4-tert-butyl-1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidine
CID 79314899
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methoxypiperidine
CID 79319858
1-(2-bromoethyl)-4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1,4-diazepane
CID 80666638
(3R)-1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyrrolidin-3-ol
CID 79221764
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methylsulfanylazepane
CID 114237826
2-[4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazin-1-yl]butanenitrile
CID 79206585
1-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidin-2-yl]propan-2-one
CID 79538840
4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazine-2,6-dione
CID 79314912
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidine-4-carboximidamide
CID 79221106

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanone (CID 79318724) is 1-[4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(CC2CSc3ccccc32)CC1.
What is the InChIKey of 1-[4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is CLNYKWFNJOKVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-12(18)17-8-6-16(7-9-17)10-13-11-19-15-5-3-2-4-14(13)15/h2-5,13H,6-11H2,1H3.
What are the key properties of 1-[4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanone?
1-[4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 276.40 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 79318724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).