3-[(6-methyl-3-pyridinyl)oxy]-1-piperazin-1-ylpropan-1-one

C13H19N3O2 — CID 114608443

IUPAC3-[(6-methyl-3-pyridinyl)oxy]-1-piperazin-1-ylpropan-1-one
SMILESCc1ccc(OCCC(=O)N2CCNCC2)cn1
InChIInChI=1S/C13H19N3O2/c1-11-2-3-12(10-15-11)18-9-4-13(17)16-7-5-14-6-8-16/h2-3,10,14H,4-9H2,1H3
InChIKeyMKUBBUGTBCNCFZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.59
Rot. Bonds4

About 3-[(6-methyl-3-pyridinyl)oxy]-1-piperazin-1-ylpropan-1-one

3-[(6-methyl-3-pyridinyl)oxy]-1-piperazin-1-ylpropan-1-one (PubChem CID 114608443) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-[(6-methyl-3-pyridinyl)oxy]-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[(6-methyl-3-pyridinyl)oxy]-1-piperazin-1-ylpropan-1-one
PubChem CID114608443
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-[(6-methyl-3-pyridinyl)oxy]-1-piperazin-1-ylpropan-1-one
SMILESCc1ccc(OCCC(=O)N2CCNCC2)cn1
InChIInChI=1S/C13H19N3O2/c1-11-2-3-12(10-15-11)18-9-4-13(17)16-7-5-14-6-8-16/h2-3,10,14H,4-9H2,1H3
InChIKeyMKUBBUGTBCNCFZ-UHFFFAOYSA-N
XLogP0.59
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dimethylphenoxy)-1-piperazin-1-ylpropan-1-one
CID 39257182
3-(4-fluorophenoxy)-1-piperazin-1-ylpropan-1-one
CID 39256403
4-(4-methylphenoxy)-1-piperazin-1-ylbutan-1-one
CID 39257144
1-piperazin-1-yl-3-(4-propanoylphenoxy)propan-1-one
CID 82147379
3-(3-methylphenoxy)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119402035
4-(4-methoxyphenoxy)-1-piperazin-1-ylbutan-1-one
CID 39284680
4-(4-ethylphenoxy)-1-piperazin-1-ylbutan-1-one
CID 39284266
3-(3-hydroxyphenoxy)-1-piperazin-1-ylpropan-1-one
CID 2759326
(6-methyl-3-pyridinyl)-piperazin-1-ylmethanone
CID 16787061
3-(4-methylphenoxy)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 60634826
3-(2,6-dimethoxyphenoxy)-1-piperazin-1-ylpropan-1-one
CID 39288381
1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[(6-methyl-3-pyridinyl)oxy]ethanone
CID 95353267

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methyl-3-pyridinyl)oxy]-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-[(6-methyl-3-pyridinyl)oxy]-1-piperazin-1-ylpropan-1-one (CID 114608443) is 3-[(6-methyl-3-pyridinyl)oxy]-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-[(6-methyl-3-pyridinyl)oxy]-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-[(6-methyl-3-pyridinyl)oxy]-1-piperazin-1-ylpropan-1-one is Cc1ccc(OCCC(=O)N2CCNCC2)cn1.
What is the InChIKey of 3-[(6-methyl-3-pyridinyl)oxy]-1-piperazin-1-ylpropan-1-one?
The InChIKey is MKUBBUGTBCNCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-11-2-3-12(10-15-11)18-9-4-13(17)16-7-5-14-6-8-16/h2-3,10,14H,4-9H2,1H3.
What are the key properties of 3-[(6-methyl-3-pyridinyl)oxy]-1-piperazin-1-ylpropan-1-one?
3-[(6-methyl-3-pyridinyl)oxy]-1-piperazin-1-ylpropan-1-one has a molecular weight of 249.31 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methyl-3-pyridinyl)oxy]-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 114608443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).