2-(2-methoxyphenyl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone

C19H21N3O3 — CID 38785944

IUPAC2-(2-methoxyphenyl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1CC(=O)N1CCN(C(=O)c2ccccn2)CC1
InChIInChI=1S/C19H21N3O3/c1-25-17-8-3-2-6-15(17)14-18(23)21-10-12-22(13-11-21)19(24)16-7-4-5-9-20-16/h2-9H,10-14H2,1H3
InChIKeyAOSVKARNWGCOPF-UHFFFAOYSA-N
MW339.39 g/mol
LogP1.62
Rot. Bonds4

About 2-(2-methoxyphenyl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone

2-(2-methoxyphenyl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 38785944) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID38785944
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Name2-(2-methoxyphenyl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1CC(=O)N1CCN(C(=O)c2ccccn2)CC1
InChIInChI=1S/C19H21N3O3/c1-25-17-8-3-2-6-15(17)14-18(23)21-10-12-22(13-11-21)19(24)16-7-4-5-9-20-16/h2-9H,10-14H2,1H3
InChIKeyAOSVKARNWGCOPF-UHFFFAOYSA-N
XLogP1.62
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 762691
(3-ethyl-4-methoxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 110814057
2-phenyl-1-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110808251
ethyl 4-[2-(2-methoxyphenyl)acetyl]piperazine-1-carboxylate
CID 694651
1-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 110818906
2-(2-methoxyphenyl)-1-(4-methylpiperazin-4-ium-1-yl)ethanone
CID 4739078
(2,4-dimethoxy-3-methylphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 110814077
2-(2-methyl-5-propan-2-ylphenyl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone
CID 110814133
[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone
CID 9021288
2-ethyl-1-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]butan-1-one
CID 110818064
N'-[2-(2-methoxyphenyl)acetyl]pyridine-2-carbohydrazide
CID 27661730
1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-(2-methoxyphenyl)ethanone
CID 121191089

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-methoxyphenyl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone (CID 38785944) is 2-(2-methoxyphenyl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-methoxyphenyl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone is COc1ccccc1CC(=O)N1CCN(C(=O)c2ccccn2)CC1.
What is the InChIKey of 2-(2-methoxyphenyl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is AOSVKARNWGCOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-25-17-8-3-2-6-15(17)14-18(23)21-10-12-22(13-11-21)19(24)16-7-4-5-9-20-16/h2-9H,10-14H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone?
2-(2-methoxyphenyl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 339.39 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 38785944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).