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

C20H25N3O3 — CID 134045109

IUPAC2-(2-ethoxyphenoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
SMILESCCOc1ccccc1OCC(=O)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C20H25N3O3/c1-2-25-18-7-3-4-8-19(18)26-16-20(24)23-12-10-22(11-13-23)15-17-6-5-9-21-14-17/h3-9,14H,2,10-13,15-16H2,1H3
InChIKeyJMZMOZRMRPMXHS-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.20
Rot. Bonds7

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

2-(2-ethoxyphenoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 134045109) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-(2-ethoxyphenoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-ethoxyphenoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
PubChem CID134045109
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name2-(2-ethoxyphenoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
SMILESCCOc1ccccc1OCC(=O)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C20H25N3O3/c1-2-25-18-7-3-4-8-19(18)26-16-20(24)23-12-10-22(11-13-23)15-17-6-5-9-21-14-17/h3-9,14H,2,10-13,15-16H2,1H3
InChIKeyJMZMOZRMRPMXHS-UHFFFAOYSA-N
XLogP2.20
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyphenoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 110709120
2-methoxy-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 46684654
2-(2-methoxyethoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 103606916
1-(4-benzylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone
CID 2476156
2-phenylmethoxy-1-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 70721631
(2R)-2-(2-ethoxyphenyl)-2-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]acetic acid
CID 97204701
1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 48866992
(2,6-dimethoxyphenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 1112890
1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]butan-1-one
CID 108568632
1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone;oxalic acid
CID 163329557
1-[4-[2-(2-ethoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 108546426
N-(2-methoxyphenyl)-2-[2-methoxy-4-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]phenoxy]acetamide
CID 55493114

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-ethoxyphenoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone (CID 134045109) is 2-(2-ethoxyphenoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-ethoxyphenoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-ethoxyphenoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone is CCOc1ccccc1OCC(=O)N1CCN(Cc2cccnc2)CC1.
What is the InChIKey of 2-(2-ethoxyphenoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is JMZMOZRMRPMXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-2-25-18-7-3-4-8-19(18)26-16-20(24)23-12-10-22(11-13-23)15-17-6-5-9-21-14-17/h3-9,14H,2,10-13,15-16H2,1H3.
What are the key properties of 2-(2-ethoxyphenoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone?
2-(2-ethoxyphenoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 355.44 g/mol, XLogP of 2.20, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 134045109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).