2-(4-methoxyphenyl)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone;hydrochloride

C20H26ClN3O2 — CID 52984539

IUPAC2-(4-methoxyphenyl)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCOc1ccc(CC(=O)N2CCN(CCc3ccccn3)CC2)cc1.Cl
InChIInChI=1S/C20H25N3O2.ClH/c1-25-19-7-5-17(6-8-19)16-20(24)23-14-12-22(13-15-23)11-9-18-4-2-3-10-21-18;/h2-8,10H,9,11-16H2,1H3;1H
InChIKeyIJVUPHDXCWFEJZ-UHFFFAOYSA-N
MW375.90 g/mol
LogP2.44
Rot. Bonds6

About 2-(4-methoxyphenyl)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone;hydrochloride

2-(4-methoxyphenyl)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone;hydrochloride (PubChem CID 52984539) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone;hydrochloride
PubChem CID52984539
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC Name2-(4-methoxyphenyl)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCOc1ccc(CC(=O)N2CCN(CCc3ccccn3)CC2)cc1.Cl
InChIInChI=1S/C20H25N3O2.ClH/c1-25-19-7-5-17(6-8-19)16-20(24)23-14-12-22(13-15-23)11-9-18-4-2-3-10-21-18;/h2-8,10H,9,11-16H2,1H3;1H
InChIKeyIJVUPHDXCWFEJZ-UHFFFAOYSA-N
XLogP2.44
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone
CID 71708267
(5R)-3-[(4-methoxyphenyl)methyl]-5-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione
CID 124860685
2-(4-chlorophenyl)-1-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]ethanone
CID 113074346
1-[4-(2-bromoethyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 80660719
2-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride
CID 17387901
2-(4-methoxyphenyl)-1-(4-pentylpiperazin-1-yl)ethanone
CID 113075099
2-(4-chloro-3-methylphenoxy)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone;hydrochloride
CID 52984605
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 110389220
2-(4-methoxyphenyl)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 113075008
2-(4-methoxyphenyl)-1-[4-(3-methoxypropyl)piperazin-1-yl]ethanone
CID 113073361
N-[(4-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108170
1-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 113074361

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-(4-methoxyphenyl)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone;hydrochloride (CID 52984539) is 2-(4-methoxyphenyl)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-(4-methoxyphenyl)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone;hydrochloride is COc1ccc(CC(=O)N2CCN(CCc3ccccn3)CC2)cc1.Cl.
What is the InChIKey of 2-(4-methoxyphenyl)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone;hydrochloride?
The InChIKey is IJVUPHDXCWFEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2.ClH/c1-25-19-7-5-17(6-8-19)16-20(24)23-14-12-22(13-15-23)11-9-18-4-2-3-10-21-18;/h2-8,10H,9,11-16H2,1H3;1H.
What are the key properties of 2-(4-methoxyphenyl)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone;hydrochloride?
2-(4-methoxyphenyl)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone;hydrochloride has a molecular weight of 375.90 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 52984539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).