1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-yloxypropan-1-one

C19H23N3O3 — CID 120733367

IUPAC1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-yloxypropan-1-one
SMILESCOc1ccccc1C1CNCCN1C(=O)C(C)Oc1cccnc1
InChIInChI=1S/C19H23N3O3/c1-14(25-15-6-5-9-20-12-15)19(23)22-11-10-21-13-17(22)16-7-3-4-8-18(16)24-2/h3-9,12,14,17,21H,10-11,13H2,1-2H3
InChIKeyGWHUDBZJICUJES-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.03
Rot. Bonds5

About 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-yloxypropan-1-one

1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-yloxypropan-1-one (PubChem CID 120733367) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-yloxypropan-1-one.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-yloxypropan-1-one
PubChem CID120733367
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-yloxypropan-1-one
SMILESCOc1ccccc1C1CNCCN1C(=O)C(C)Oc1cccnc1
InChIInChI=1S/C19H23N3O3/c1-14(25-15-6-5-9-20-12-15)19(23)22-11-10-21-13-17(22)16-7-3-4-8-18(16)24-2/h3-9,12,14,17,21H,10-11,13H2,1-2H3
InChIKeyGWHUDBZJICUJES-UHFFFAOYSA-N
XLogP2.03
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenoxypropan-1-one;hydrochloride
CID 120734753
(2S)-1-[(2R)-2-methylpiperazin-1-yl]-2-pyridin-3-yloxypropan-1-one
CID 124570770
[2-(2-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride
CID 120732780
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-phenoxypropan-1-one
CID 120732873
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one;hydrochloride
CID 120732830
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one
CID 120733699
2-(2-chloro-4-fluorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120728927
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-prop-2-enylpent-4-en-1-one;hydrochloride
CID 120734201
cycloheptyl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735372
2-(5-chlorothiophen-2-yl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 120733797
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one
CID 120738127
1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one;dihydrochloride
CID 120733090

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-yloxypropan-1-one?
The IUPAC name of 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-yloxypropan-1-one (CID 120733367) is 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-yloxypropan-1-one.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-yloxypropan-1-one?
The canonical SMILES for 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-yloxypropan-1-one is COc1ccccc1C1CNCCN1C(=O)C(C)Oc1cccnc1.
What is the InChIKey of 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-yloxypropan-1-one?
The InChIKey is GWHUDBZJICUJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-14(25-15-6-5-9-20-12-15)19(23)22-11-10-21-13-17(22)16-7-3-4-8-18(16)24-2/h3-9,12,14,17,21H,10-11,13H2,1-2H3.
What are the key properties of 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-yloxypropan-1-one?
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-yloxypropan-1-one has a molecular weight of 341.41 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-yloxypropan-1-one is sourced from PubChem (CID 120733367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).