1-[4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]piperazin-1-yl]propan-1-one

C18H22N4O3 — CID 42806325

IUPAC1-[4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2cc(Oc3cccc(OC)c3)ncn2)CC1
InChIInChI=1S/C18H22N4O3/c1-3-18(23)22-9-7-21(8-10-22)16-12-17(20-13-19-16)25-15-6-4-5-14(11-15)24-2/h4-6,11-13H,3,7-10H2,1-2H3
InChIKeyZOLKQHVZMRYQIS-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.34
Rot. Bonds5

About 1-[4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]piperazin-1-yl]propan-1-one

1-[4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]piperazin-1-yl]propan-1-one (PubChem CID 42806325) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-[4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
PubChem CID42806325
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name1-[4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2cc(Oc3cccc(OC)c3)ncn2)CC1
InChIInChI=1S/C18H22N4O3/c1-3-18(23)22-9-7-21(8-10-22)16-12-17(20-13-19-16)25-15-6-4-5-14(11-15)24-2/h4-6,11-13H,3,7-10H2,1-2H3
InChIKeyZOLKQHVZMRYQIS-UHFFFAOYSA-N
XLogP2.34
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[6-(3,4-difluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 24715591
2-(3-methoxyphenoxy)-1-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122343448
4-(3-fluorophenoxy)-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine
CID 83284609
(3-methoxyphenyl)-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108755288
2-[4-[6-(4-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 42806342
2-(4-chlorophenoxy)-1-[4-[6-(3-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 50841077
ethyl 1-[6-(3-methylphenoxy)pyrimidin-4-yl]piperidine-4-carboxylate
CID 42872770
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
1-[4-[6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 24715350
1-[(2R)-4-[6-(3-fluorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]butan-1-one
CID 93296671
2-(3-methoxyphenoxy)-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122341561
4-(3-methylphenoxy)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrimidine
CID 83287949

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]piperazin-1-yl]propan-1-one (CID 42806325) is 1-[4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(c2cc(Oc3cccc(OC)c3)ncn2)CC1.
What is the InChIKey of 1-[4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]piperazin-1-yl]propan-1-one?
The InChIKey is ZOLKQHVZMRYQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-3-18(23)22-9-7-21(8-10-22)16-12-17(20-13-19-16)25-15-6-4-5-14(11-15)24-2/h4-6,11-13H,3,7-10H2,1-2H3.
What are the key properties of 1-[4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]piperazin-1-yl]propan-1-one?
1-[4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]piperazin-1-yl]propan-1-one has a molecular weight of 342.40 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 42806325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).