1-benzothiophen-3-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride

C14H17ClN2OS — CID 119471975

IUPAC1-benzothiophen-3-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1CNCCN1C(=O)c1csc2ccccc12.Cl
InChIInChI=1S/C14H16N2OS.ClH/c1-10-8-15-6-7-16(10)14(17)12-9-18-13-5-3-2-4-11(12)13;/h2-5,9-10,15H,6-8H2,1H3;1H
InChIKeyGKTLCEIDKJNMKH-UHFFFAOYSA-N
MW296.82 g/mol
LogP2.76
Rot. Bonds1

About 1-benzothiophen-3-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride

1-benzothiophen-3-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 119471975) has the molecular formula C14H17ClN2OS and a molecular weight of 296.82 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name1-benzothiophen-3-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride
PubChem CID119471975
Molecular FormulaC14H17ClN2OS
Molecular Weight296.82 g/mol
Exact Mass296.08
IUPAC Name1-benzothiophen-3-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1CNCCN1C(=O)c1csc2ccccc12.Cl
InChIInChI=1S/C14H16N2OS.ClH/c1-10-8-15-6-7-16(10)14(17)12-9-18-13-5-3-2-4-11(12)13;/h2-5,9-10,15H,6-8H2,1H3;1H
InChIKeyGKTLCEIDKJNMKH-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-3-yl-(2,3-dimethylpiperazin-1-yl)methanone
CID 120570146
(2-methylpiperazin-1-yl)-thieno[3,2-b][1]benzothiol-2-ylmethanone;hydrochloride
CID 119472440
1-benzofuran-3-yl-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705753
(2-iodophenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82704622
4-[(2R)-2-methylpiperazine-1-carbonyl]-1H-quinolin-2-one
CID 82704916
[(2R)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone
CID 82705008
[(2S)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone
CID 82705304
(2,3-dimethoxyphenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672070
N-[(3S)-pyrrolidin-3-yl]-1-benzothiophene-3-carboxamide
CID 79688085
(5-bromothiophen-3-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119473006
(5-iodothiophen-3-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119470762
(2,6-dihydroxyphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 107690427

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of 1-benzothiophen-3-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride (CID 119471975) is 1-benzothiophen-3-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for 1-benzothiophen-3-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for 1-benzothiophen-3-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride is CC1CNCCN1C(=O)c1csc2ccccc12.Cl.
What is the InChIKey of 1-benzothiophen-3-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is GKTLCEIDKJNMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS.ClH/c1-10-8-15-6-7-16(10)14(17)12-9-18-13-5-3-2-4-11(12)13;/h2-5,9-10,15H,6-8H2,1H3;1H.
What are the key properties of 1-benzothiophen-3-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride?
1-benzothiophen-3-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-3-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119471975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).