2-(1-benzothiophen-3-yl)-5-(4-benzylpiperazin-1-yl)pent-1-en-1-one

C24H26N2OS — CID 90056958

IUPAC2-(1-benzothiophen-3-yl)-5-(4-benzylpiperazin-1-yl)pent-1-en-1-one
SMILESO=C=C(CCCN1CCN(Cc2ccccc2)CC1)c1csc2ccccc12
InChIInChI=1S/C24H26N2OS/c27-18-21(23-19-28-24-11-5-4-10-22(23)24)9-6-12-25-13-15-26(16-14-25)17-20-7-2-1-3-8-20/h1-5,7-8,10-11,19H,6,9,12-17H2
InChIKeyBQWGZMCTVOTISV-UHFFFAOYSA-N
MW390.55 g/mol
LogP4.71
Rot. Bonds7

About 2-(1-benzothiophen-3-yl)-5-(4-benzylpiperazin-1-yl)pent-1-en-1-one

2-(1-benzothiophen-3-yl)-5-(4-benzylpiperazin-1-yl)pent-1-en-1-one (PubChem CID 90056958) has the molecular formula C24H26N2OS and a molecular weight of 390.55 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-5-(4-benzylpiperazin-1-yl)pent-1-en-1-one.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-5-(4-benzylpiperazin-1-yl)pent-1-en-1-one
PubChem CID90056958
Molecular FormulaC24H26N2OS
Molecular Weight390.55 g/mol
Exact Mass390.18
IUPAC Name2-(1-benzothiophen-3-yl)-5-(4-benzylpiperazin-1-yl)pent-1-en-1-one
SMILESO=C=C(CCCN1CCN(Cc2ccccc2)CC1)c1csc2ccccc12
InChIInChI=1S/C24H26N2OS/c27-18-21(23-19-28-24-11-5-4-10-22(23)24)9-6-12-25-13-15-26(16-14-25)17-20-7-2-1-3-8-20/h1-5,7-8,10-11,19H,6,9,12-17H2
InChIKeyBQWGZMCTVOTISV-UHFFFAOYSA-N
XLogP4.71
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}

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Related Compounds

4-(4-benzylpiperazin-1-yl)-2-[6-(methylamino)-1-benzothiophen-3-yl]but-1-en-1-one;hydrochloride
CID 90056627
2-(1-benzothiophen-3-yl)-3-(4-phenylpiperazin-1-yl)prop-1-en-1-one
CID 90056760
2-(1-benzothiophen-3-yl)-3-[[4-(2-phenylethyl)piperazin-1-yl]methyl]hept-1-en-1-one;hydrochloride
CID 87261846
1-benzothiophen-3-yl-[4-(2-bromoethyl)piperazin-1-yl]methanone
CID 80661319
5-(4-benzylpiperazin-1-yl)-1-phenylpentan-1-one
CID 59229808
2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanol
CID 60705027
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-(1-benzothiophen-3-yl)-3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 52951871
tert-butyl 4-[3-(1-benzothiophene-3-carbonylamino)propyl]piperazine-1-carboxylate
CID 60518444
1-benzyl-4-butylpiperazine;ethane
CID 90954358
dichlorocopper;1,4,7-tribenzyl-1,4,7-triazonane
CID 11307142
4-(4-benzylpiperazin-1-yl)butan-2-one;ethane
CID 91431275

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-5-(4-benzylpiperazin-1-yl)pent-1-en-1-one?
The IUPAC name of 2-(1-benzothiophen-3-yl)-5-(4-benzylpiperazin-1-yl)pent-1-en-1-one (CID 90056958) is 2-(1-benzothiophen-3-yl)-5-(4-benzylpiperazin-1-yl)pent-1-en-1-one.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-5-(4-benzylpiperazin-1-yl)pent-1-en-1-one?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-5-(4-benzylpiperazin-1-yl)pent-1-en-1-one is O=C=C(CCCN1CCN(Cc2ccccc2)CC1)c1csc2ccccc12.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-5-(4-benzylpiperazin-1-yl)pent-1-en-1-one?
The InChIKey is BQWGZMCTVOTISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2OS/c27-18-21(23-19-28-24-11-5-4-10-22(23)24)9-6-12-25-13-15-26(16-14-25)17-20-7-2-1-3-8-20/h1-5,7-8,10-11,19H,6,9,12-17H2.
What are the key properties of 2-(1-benzothiophen-3-yl)-5-(4-benzylpiperazin-1-yl)pent-1-en-1-one?
2-(1-benzothiophen-3-yl)-5-(4-benzylpiperazin-1-yl)pent-1-en-1-one has a molecular weight of 390.55 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-5-(4-benzylpiperazin-1-yl)pent-1-en-1-one is sourced from PubChem (CID 90056958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).