2-(2-methoxyphenoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone

C19H23N3O3 — CID 110709120

IUPAC2-(2-methoxyphenoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1OCC(=O)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C19H23N3O3/c1-24-17-6-2-3-7-18(17)25-15-19(23)22-11-9-21(10-12-22)14-16-5-4-8-20-13-16/h2-8,13H,9-12,14-15H2,1H3
InChIKeyRHUQSJAOIMAISP-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.81
Rot. Bonds6

About 2-(2-methoxyphenoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone

2-(2-methoxyphenoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 110709120) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
PubChem CID110709120
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name2-(2-methoxyphenoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1OCC(=O)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C19H23N3O3/c1-24-17-6-2-3-7-18(17)25-15-19(23)22-11-9-21(10-12-22)14-16-5-4-8-20-13-16/h2-8,13H,9-12,14-15H2,1H3
InChIKeyRHUQSJAOIMAISP-UHFFFAOYSA-N
XLogP1.81
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethoxyphenoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 134045109
2-methoxy-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 46684654
(2,6-dimethoxyphenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 1112890
2-(2-methoxyethoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 103606916
1-[4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 110399292
N-(2-methoxyphenyl)-2-[2-methoxy-4-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]phenoxy]acetamide
CID 55493114
2-phenylmethoxy-1-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 70721631
1-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 90571811
3-(3,5-dimethoxyphenyl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 134033185
2-(2-methoxyphenoxy)-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 30086333
2-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]-2-oxoacetic acid
CID 2050367
1-(4-benzylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone
CID 2476156

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-methoxyphenoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone (CID 110709120) is 2-(2-methoxyphenoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methoxyphenoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-methoxyphenoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone is COc1ccccc1OCC(=O)N1CCN(Cc2cccnc2)CC1.
What is the InChIKey of 2-(2-methoxyphenoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is RHUQSJAOIMAISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-24-17-6-2-3-7-18(17)25-15-19(23)22-11-9-21(10-12-22)14-16-5-4-8-20-13-16/h2-8,13H,9-12,14-15H2,1H3.
What are the key properties of 2-(2-methoxyphenoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone?
2-(2-methoxyphenoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 341.41 g/mol, XLogP of 1.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110709120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).