2-(4-ethoxyphenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride

C19H24ClN3O3 — CID 120732198

IUPAC2-(4-ethoxyphenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
SMILESCCOc1ccc(OCC(=O)N2CCNCC2c2cccnc2)cc1.Cl
InChIInChI=1S/C19H23N3O3.ClH/c1-2-24-16-5-7-17(8-6-16)25-14-19(23)22-11-10-21-13-18(22)15-4-3-9-20-12-15;/h3-9,12,18,21H,2,10-11,13-14H2,1H3;1H
InChIKeyGYQIZSWIXUBQCO-UHFFFAOYSA-N
MW377.87 g/mol
LogP2.45
Rot. Bonds6

About 2-(4-ethoxyphenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride

2-(4-ethoxyphenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride (PubChem CID 120732198) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
PubChem CID120732198
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC Name2-(4-ethoxyphenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
SMILESCCOc1ccc(OCC(=O)N2CCNCC2c2cccnc2)cc1.Cl
InChIInChI=1S/C19H23N3O3.ClH/c1-2-24-16-5-7-17(8-6-16)25-14-19(23)22-11-10-21-13-18(22)15-4-3-9-20-12-15;/h3-9,12,18,21H,2,10-11,13-14H2,1H3;1H
InChIKeyGYQIZSWIXUBQCO-UHFFFAOYSA-N
XLogP2.45
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120731259
2-(3,4-dichlorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120732560
2-(4-ethoxyphenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120737774
1-(4-propoxyphenyl)-4-(2-pyridin-3-ylpiperazin-1-yl)butane-1,4-dione;hydrochloride
CID 120732200
2-phenoxy-1-(2-phenylpiperazin-1-yl)ethanone
CID 82251696
3-(4-chlorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120730564
2-(3-fluoro-4-nitrophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
CID 120730484
2-(4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
CID 120731250
2-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenoxy]acetamide
CID 120729201
4-oxo-N,N-dipropyl-4-(2-pyridin-3-ylpiperazin-1-yl)butanamide;hydrochloride
CID 120730453
3-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120731237
[4-(3-methoxypropoxy)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120730857

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-(4-ethoxyphenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride (CID 120732198) is 2-(4-ethoxyphenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-(4-ethoxyphenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-(4-ethoxyphenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride is CCOc1ccc(OCC(=O)N2CCNCC2c2cccnc2)cc1.Cl.
What is the InChIKey of 2-(4-ethoxyphenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride?
The InChIKey is GYQIZSWIXUBQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3.ClH/c1-2-24-16-5-7-17(8-6-16)25-14-19(23)22-11-10-21-13-18(22)15-4-3-9-20-12-15;/h3-9,12,18,21H,2,10-11,13-14H2,1H3;1H.
What are the key properties of 2-(4-ethoxyphenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride?
2-(4-ethoxyphenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride has a molecular weight of 377.87 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 120732198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).