1-benzothiophen-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone;hydrochloride

C18H18ClN3OS — CID 2933523

IUPAC1-benzothiophen-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone;hydrochloride
SMILESCl.O=C(c1csc2ccccc12)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H17N3OS.ClH/c22-18(15-13-23-16-6-2-1-5-14(15)16)21-11-9-20(10-12-21)17-7-3-4-8-19-17;/h1-8,13H,9-12H2;1H
InChIKeyRKJDUAIAQQXQAG-UHFFFAOYSA-N
MW359.88 g/mol
LogP3.68
Rot. Bonds2

About 1-benzothiophen-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone;hydrochloride

1-benzothiophen-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 2933523) has the molecular formula C18H18ClN3OS and a molecular weight of 359.88 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name1-benzothiophen-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone;hydrochloride
PubChem CID2933523
Molecular FormulaC18H18ClN3OS
Molecular Weight359.88 g/mol
Exact Mass359.09
IUPAC Name1-benzothiophen-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone;hydrochloride
SMILESCl.O=C(c1csc2ccccc12)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H17N3OS.ClH/c22-18(15-13-23-16-6-2-1-5-14(15)16)21-11-9-20(10-12-21)17-7-3-4-8-19-17;/h1-8,13H,9-12H2;1H
InChIKeyRKJDUAIAQQXQAG-UHFFFAOYSA-N
XLogP3.68
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzothiophen-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2932774
1-benzothiophen-3-yl-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone
CID 1223722
1-benzothiophen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 17191275
1-benzothiophen-3-yl-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 25236632
(4-phenylpiperazin-1-yl)-[1-(4-pyridin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone
CID 122174293
(4-chlorothiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854869
4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-quinolin-2-one
CID 18104771
1-benzothiophen-3-yl-[4-(2-bromoethyl)piperazin-1-yl]methanone
CID 80661319
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;dihydrochloride
CID 119828205
(4-pyridin-2-ylpiperazin-1-yl)-(2-pyridin-2-ylquinolin-4-yl)methanone
CID 27255529
(2-nitrophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 16546256
1-(1-benzothiophene-3-carbonyl)-1,4-diazepan-5-one
CID 55153408

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of 1-benzothiophen-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone;hydrochloride (CID 2933523) is 1-benzothiophen-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for 1-benzothiophen-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for 1-benzothiophen-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone;hydrochloride is Cl.O=C(c1csc2ccccc12)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-benzothiophen-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is RKJDUAIAQQXQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS.ClH/c22-18(15-13-23-16-6-2-1-5-14(15)16)21-11-9-20(10-12-21)17-7-3-4-8-19-17;/h1-8,13H,9-12H2;1H.
What are the key properties of 1-benzothiophen-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone;hydrochloride?
1-benzothiophen-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 359.88 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 2933523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).