1-benzothiophen-5-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride

C14H17ClN2OS — CID 119471361

IUPAC1-benzothiophen-5-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1CNCCN1C(=O)c1ccc2sccc2c1.Cl
InChIInChI=1S/C14H16N2OS.ClH/c1-10-9-15-5-6-16(10)14(17)12-2-3-13-11(8-12)4-7-18-13;/h2-4,7-8,10,15H,5-6,9H2,1H3;1H
InChIKeyHXHPRYJBZQJROQ-UHFFFAOYSA-N
MW296.82 g/mol
LogP2.76
Rot. Bonds1

About 1-benzothiophen-5-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride

1-benzothiophen-5-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 119471361) has the molecular formula C14H17ClN2OS and a molecular weight of 296.82 g/mol. Its IUPAC name is 1-benzothiophen-5-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name1-benzothiophen-5-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride
PubChem CID119471361
Molecular FormulaC14H17ClN2OS
Molecular Weight296.82 g/mol
Exact Mass296.08
IUPAC Name1-benzothiophen-5-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1CNCCN1C(=O)c1ccc2sccc2c1.Cl
InChIInChI=1S/C14H16N2OS.ClH/c1-10-9-15-5-6-16(10)14(17)12-2-3-13-11(8-12)4-7-18-13;/h2-4,7-8,10,15H,5-6,9H2,1H3;1H
InChIKeyHXHPRYJBZQJROQ-UHFFFAOYSA-N
XLogP2.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzothiophen-5-yl-(2,3-dimethylpiperazin-1-yl)methanone
CID 120571458
(4-chlorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472310
(4-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705562
(4-iodophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62671877
(5-iodothiophen-3-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119470762
(5-bromothiophen-3-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119473006
(3-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone;hydrochloride
CID 68757495
(4-bromo-3-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82704738
(3-chloro-4-iodophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 103866778
(4-tert-butylphenyl)-(2-methylpiperazin-1-yl)methanone
CID 62673639
(4-tert-butylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705106
[(2R)-2-methylpiperazin-1-yl]-quinolin-6-ylmethanone
CID 82705265

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-5-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of 1-benzothiophen-5-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride (CID 119471361) is 1-benzothiophen-5-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for 1-benzothiophen-5-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for 1-benzothiophen-5-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride is CC1CNCCN1C(=O)c1ccc2sccc2c1.Cl.
What is the InChIKey of 1-benzothiophen-5-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is HXHPRYJBZQJROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS.ClH/c1-10-9-15-5-6-16(10)14(17)12-2-3-13-11(8-12)4-7-18-13;/h2-4,7-8,10,15H,5-6,9H2,1H3;1H.
What are the key properties of 1-benzothiophen-5-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride?
1-benzothiophen-5-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 296.82 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-5-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119471361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).