1-(1-benzothiophen-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one

C22H24N2OS — CID 11728223

IUPAC1-(1-benzothiophen-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
SMILESCc1cccc(N2CCN(CCC(=O)c3csc4ccccc34)CC2)c1
InChIInChI=1S/C22H24N2OS/c1-17-5-4-6-18(15-17)24-13-11-23(12-14-24)10-9-21(25)20-16-26-22-8-3-2-7-19(20)22/h2-8,15-16H,9-14H2,1H3
InChIKeyJCNWXBPHLXDLOB-UHFFFAOYSA-N
MW364.51 g/mol
LogP4.60
Rot. Bonds5

About 1-(1-benzothiophen-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one

1-(1-benzothiophen-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one (PubChem CID 11728223) has the molecular formula C22H24N2OS and a molecular weight of 364.51 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
PubChem CID11728223
Molecular FormulaC22H24N2OS
Molecular Weight364.51 g/mol
Exact Mass364.16
IUPAC Name1-(1-benzothiophen-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
SMILESCc1cccc(N2CCN(CCC(=O)c3csc4ccccc34)CC2)c1
InChIInChI=1S/C22H24N2OS/c1-17-5-4-6-18(15-17)24-13-11-23(12-14-24)10-9-21(25)20-16-26-22-8-3-2-7-19(20)22/h2-8,15-16H,9-14H2,1H3
InChIKeyJCNWXBPHLXDLOB-UHFFFAOYSA-N
XLogP4.60
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid;dihydrochloride
CID 43810604
N-benzyl-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109018781
3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-1-(5-methyl-1-benzothiophen-3-yl)propan-1-one
CID 11452959
1-(1-benzothiophen-3-yl)-3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 52951871
3-[4-(3-methylphenyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 119402779
1-[3-[4-(3-methylphenyl)piperazin-1-yl]propanoyl]piperidine-4-carboxylic acid
CID 119349672
1-(2,4-dimethylphenyl)-3-(4-naphthalen-1-ylpiperazin-1-yl)propan-1-one
CID 10667020
1-(3-methylphenyl)-4-propylpiperazine
CID 44570658
N-(4-hydroxycyclohexyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 72879612
(2S)-2-[3-[4-(3-methylphenyl)piperazin-1-yl]propanoylamino]propanoic acid
CID 119943282
4-(2,5-dimethylphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-4-oxobutanamide
CID 46448458
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885244

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-(1-benzothiophen-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one (CID 11728223) is 1-(1-benzothiophen-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one is Cc1cccc(N2CCN(CCC(=O)c3csc4ccccc34)CC2)c1.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is JCNWXBPHLXDLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2OS/c1-17-5-4-6-18(15-17)24-13-11-23(12-14-24)10-9-21(25)20-16-26-22-8-3-2-7-19(20)22/h2-8,15-16H,9-14H2,1H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one?
1-(1-benzothiophen-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 364.51 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 11728223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).