1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride

C22H28ClN3O2 — CID 120753855

IUPAC1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCOc1ccccc1C1CNCCN1CC(=O)N1CCc2ccccc2C1.Cl
InChIInChI=1S/C22H27N3O2.ClH/c1-27-21-9-5-4-8-19(21)20-14-23-11-13-24(20)16-22(26)25-12-10-17-6-2-3-7-18(17)15-25;/h2-9,20,23H,10-16H2,1H3;1H
InChIKeyRARXEHXHQVZAPE-UHFFFAOYSA-N
MW401.94 g/mol
LogP2.65
Rot. Bonds4

About 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride (PubChem CID 120753855) has the molecular formula C22H28ClN3O2 and a molecular weight of 401.94 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
PubChem CID120753855
Molecular FormulaC22H28ClN3O2
Molecular Weight401.94 g/mol
Exact Mass401.19
IUPAC Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCOc1ccccc1C1CNCCN1CC(=O)N1CCc2ccccc2C1.Cl
InChIInChI=1S/C22H27N3O2.ClH/c1-27-21-9-5-4-8-19(21)20-14-23-11-13-24(20)16-22(26)25-12-10-17-6-2-3-7-18(17)15-25;/h2-9,20,23H,10-16H2,1H3;1H
InChIKeyRARXEHXHQVZAPE-UHFFFAOYSA-N
XLogP2.65
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.94
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride with MolForge

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Related Compounds

1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120753922
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120871104
2-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3H-isoindol-1-one;hydrochloride
CID 120735296
N-[1-[2-[2-(2-methoxyphenyl)piperazin-1-yl]acetyl]piperidin-3-yl]acetamide
CID 120753617
N-(cyclopropylcarbamoyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753652
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 46615044
N-benzyl-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753744
N-cyclopentyl-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753414
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide
CID 120753930
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione;hydrochloride
CID 120735112
N-(4-chlorophenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120754003
N-(3,5-difluorophenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753312

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride (CID 120753855) is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride is COc1ccccc1C1CNCCN1CC(=O)N1CCc2ccccc2C1.Cl.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride?
The InChIKey is RARXEHXHQVZAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2.ClH/c1-27-21-9-5-4-8-19(21)20-14-23-11-13-24(20)16-22(26)25-12-10-17-6-2-3-7-18(17)15-25;/h2-9,20,23H,10-16H2,1H3;1H.
What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride?
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride has a molecular weight of 401.94 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 120753855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).