1-benzothiophen-3-yl-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone

C19H16Cl2N2OS — CID 1223722

IUPAC1-benzothiophen-3-yl-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1csc2ccccc12)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C19H16Cl2N2OS/c20-16-6-5-13(11-17(16)21)22-7-9-23(10-8-22)19(24)15-12-25-18-4-2-1-3-14(15)18/h1-6,11-12H,7-10H2
InChIKeyONQYXJNDMVJGBK-UHFFFAOYSA-N
MW391.32 g/mol
LogP5.17
Rot. Bonds2

About 1-benzothiophen-3-yl-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone

1-benzothiophen-3-yl-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone (PubChem CID 1223722) has the molecular formula C19H16Cl2N2OS and a molecular weight of 391.32 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1-benzothiophen-3-yl-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone
PubChem CID1223722
Molecular FormulaC19H16Cl2N2OS
Molecular Weight391.32 g/mol
Exact Mass390.04
IUPAC Name1-benzothiophen-3-yl-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1csc2ccccc12)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C19H16Cl2N2OS/c20-16-6-5-13(11-17(16)21)22-7-9-23(10-8-22)19(24)15-12-25-18-4-2-1-3-14(15)18/h1-6,11-12H,7-10H2
InChIKeyONQYXJNDMVJGBK-UHFFFAOYSA-N
XLogP5.17
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.32
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzothiophen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 17191275
1-benzothiophen-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2932774
1-benzothiophen-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone;hydrochloride
CID 2933523
1-benzothiophen-3-yl-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 25236632
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 113080152
[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone
CID 42878392
[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-(2-chlorophenyl)methanone
CID 16644825
1-benzothiophen-3-yl-[4-(2-bromoethyl)piperazin-1-yl]methanone
CID 80661319
1-(1-benzothiophene-3-carbonyl)-1,4-diazepan-5-one
CID 55153408
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 17217210
1-benzothiophen-3-yl-[3-(chloromethyl)piperidin-1-yl]methanone
CID 55185518
2-[4-(1-benzothiophene-3-carbonyl)piperazin-1-yl]propanenitrile
CID 63337420

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone?
The IUPAC name of 1-benzothiophen-3-yl-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone (CID 1223722) is 1-benzothiophen-3-yl-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for 1-benzothiophen-3-yl-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for 1-benzothiophen-3-yl-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone is O=C(c1csc2ccccc12)N1CCN(c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1-benzothiophen-3-yl-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone?
The InChIKey is ONQYXJNDMVJGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2OS/c20-16-6-5-13(11-17(16)21)22-7-9-23(10-8-22)19(24)15-12-25-18-4-2-1-3-14(15)18/h1-6,11-12H,7-10H2.
What are the key properties of 1-benzothiophen-3-yl-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone?
1-benzothiophen-3-yl-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone has a molecular weight of 391.32 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 1223722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).