(2R)-2-(4-methoxyphenoxy)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one

C18H22N4O3 — CID 42024714

IUPAC(2R)-2-(4-methoxyphenoxy)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
SMILESCOc1ccc(O[C@H](C)C(=O)N2CCN(c3cnccn3)CC2)cc1
InChIInChI=1S/C18H22N4O3/c1-14(25-16-5-3-15(24-2)4-6-16)18(23)22-11-9-21(10-12-22)17-13-19-7-8-20-17/h3-8,13-14H,9-12H2,1-2H3/t14-/m1/s1
InChIKeyLVMCHLBLQCLRBP-CQSZACIVSA-N
MW342.40 g/mol
LogP1.60
Rot. Bonds5

About (2R)-2-(4-methoxyphenoxy)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one

(2R)-2-(4-methoxyphenoxy)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 42024714) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is (2R)-2-(4-methoxyphenoxy)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-(4-methoxyphenoxy)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
PubChem CID42024714
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name(2R)-2-(4-methoxyphenoxy)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
SMILESCOc1ccc(O[C@H](C)C(=O)N2CCN(c3cnccn3)CC2)cc1
InChIInChI=1S/C18H22N4O3/c1-14(25-16-5-3-15(24-2)4-6-16)18(23)22-11-9-21(10-12-22)17-13-19-7-8-20-17/h3-8,13-14H,9-12H2,1-2H3/t14-/m1/s1
InChIKeyLVMCHLBLQCLRBP-CQSZACIVSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3-benzodioxol-5-yloxy)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 86287320
2-(4-methoxyphenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 42023151
(2R)-2-chloro-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 93378573
2-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazine
CID 4780942
(2S)-2-(4-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 7354583
2-(4-hydroxyphenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one
CID 108534701
2-(4-chlorophenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 51143811
1-[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-2-(4-methoxyphenoxy)propan-1-one
CID 121107235
2-amino-3-methyl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 54872686
2-bromo-3-methyl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 54875491
2-(4-propan-2-ylphenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one
CID 108536055
4-[(2S)-2-(4-methoxyphenoxy)propanoyl]piperazine-1-carbaldehyde
CID 925146

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methoxyphenoxy)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of (2R)-2-(4-methoxyphenoxy)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one (CID 42024714) is (2R)-2-(4-methoxyphenoxy)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for (2R)-2-(4-methoxyphenoxy)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for (2R)-2-(4-methoxyphenoxy)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one is COc1ccc(O[C@H](C)C(=O)N2CCN(c3cnccn3)CC2)cc1.
What is the InChIKey of (2R)-2-(4-methoxyphenoxy)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is LVMCHLBLQCLRBP-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-14(25-16-5-3-15(24-2)4-6-16)18(23)22-11-9-21(10-12-22)17-13-19-7-8-20-17/h3-8,13-14H,9-12H2,1-2H3/t14-/m1/s1.
What are the key properties of (2R)-2-(4-methoxyphenoxy)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one?
(2R)-2-(4-methoxyphenoxy)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 342.40 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methoxyphenoxy)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 42024714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).