2-(1-benzothiophen-3-yl)-3-(4-phenylpiperazin-1-yl)prop-1-en-1-one

C21H20N2OS — CID 90056760

IUPAC2-(1-benzothiophen-3-yl)-3-(4-phenylpiperazin-1-yl)prop-1-en-1-one
SMILESO=C=C(CN1CCN(c2ccccc2)CC1)c1csc2ccccc12
InChIInChI=1S/C21H20N2OS/c24-15-17(20-16-25-21-9-5-4-8-19(20)21)14-22-10-12-23(13-11-22)18-6-2-1-3-7-18/h1-9,16H,10-14H2
InChIKeyFNFIMNMNSASXBK-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.94
Rot. Bonds4

About 2-(1-benzothiophen-3-yl)-3-(4-phenylpiperazin-1-yl)prop-1-en-1-one

2-(1-benzothiophen-3-yl)-3-(4-phenylpiperazin-1-yl)prop-1-en-1-one (PubChem CID 90056760) has the molecular formula C21H20N2OS and a molecular weight of 348.47 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-3-(4-phenylpiperazin-1-yl)prop-1-en-1-one.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-3-(4-phenylpiperazin-1-yl)prop-1-en-1-one
PubChem CID90056760
Molecular FormulaC21H20N2OS
Molecular Weight348.47 g/mol
Exact Mass348.13
IUPAC Name2-(1-benzothiophen-3-yl)-3-(4-phenylpiperazin-1-yl)prop-1-en-1-one
SMILESO=C=C(CN1CCN(c2ccccc2)CC1)c1csc2ccccc12
InChIInChI=1S/C21H20N2OS/c24-15-17(20-16-25-21-9-5-4-8-19(20)21)14-22-10-12-23(13-11-22)18-6-2-1-3-7-18/h1-9,16H,10-14H2
InChIKeyFNFIMNMNSASXBK-UHFFFAOYSA-N
XLogP3.94
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.94
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

2-(1-benzothiophen-3-yl)-5-(4-benzylpiperazin-1-yl)pent-1-en-1-one
CID 90056958
1-benzothiophen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 17191275
1-(1-benzothiophen-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 11728223
1-[4-(1-benzothiophene-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 24671529
1-benzothiophen-3-yl-[4-(2-bromoethyl)piperazin-1-yl]methanone
CID 80661319
1-benzothiophen-3-yl-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone
CID 1223722
2-(1-benzothiophen-3-yl)-3-methyl-4-piperazin-1-ylbut-1-en-1-one;hydrochloride
CID 87261853
N'-hydroxy-2-(4-phenylpiperazin-1-yl)ethanimidamide
CID 57368864
1-benzothiophen-3-yl-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 25236632
2-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-1-yl]acetonitrile
CID 719503
2-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-1-yl]acetonitrile;dihydrochloride
CID 2916737
1-(1-benzothiophen-3-yl)-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
CID 6481408

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-3-(4-phenylpiperazin-1-yl)prop-1-en-1-one?
The IUPAC name of 2-(1-benzothiophen-3-yl)-3-(4-phenylpiperazin-1-yl)prop-1-en-1-one (CID 90056760) is 2-(1-benzothiophen-3-yl)-3-(4-phenylpiperazin-1-yl)prop-1-en-1-one.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-3-(4-phenylpiperazin-1-yl)prop-1-en-1-one?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-3-(4-phenylpiperazin-1-yl)prop-1-en-1-one is O=C=C(CN1CCN(c2ccccc2)CC1)c1csc2ccccc12.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-3-(4-phenylpiperazin-1-yl)prop-1-en-1-one?
The InChIKey is FNFIMNMNSASXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2OS/c24-15-17(20-16-25-21-9-5-4-8-19(20)21)14-22-10-12-23(13-11-22)18-6-2-1-3-7-18/h1-9,16H,10-14H2.
What are the key properties of 2-(1-benzothiophen-3-yl)-3-(4-phenylpiperazin-1-yl)prop-1-en-1-one?
2-(1-benzothiophen-3-yl)-3-(4-phenylpiperazin-1-yl)prop-1-en-1-one has a molecular weight of 348.47 g/mol, XLogP of 3.94, 4 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)-3-(4-phenylpiperazin-1-yl)prop-1-en-1-one is sourced from PubChem (CID 90056760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).