(2R)-2-(2-methoxyphenoxy)-1-(4-methylpiperazin-1-yl)propan-1-one

C15H22N2O3 — CID 28839488

IUPAC(2R)-2-(2-methoxyphenoxy)-1-(4-methylpiperazin-1-yl)propan-1-one
SMILESCOc1ccccc1O[C@H](C)C(=O)N1CCN(C)CC1
InChIInChI=1S/C15H22N2O3/c1-12(15(18)17-10-8-16(2)9-11-17)20-14-7-5-4-6-13(14)19-3/h4-7,12H,8-11H2,1-3H3/t12-/m1/s1
InChIKeyNGMYSDHBAZMJRA-GFCCVEGCSA-N
MW278.35 g/mol
LogP1.24
Rot. Bonds4

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

(2R)-2-(2-methoxyphenoxy)-1-(4-methylpiperazin-1-yl)propan-1-one (PubChem CID 28839488) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (2R)-2-(2-methoxyphenoxy)-1-(4-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-(2-methoxyphenoxy)-1-(4-methylpiperazin-1-yl)propan-1-one
PubChem CID28839488
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(2R)-2-(2-methoxyphenoxy)-1-(4-methylpiperazin-1-yl)propan-1-one
SMILESCOc1ccccc1O[C@H](C)C(=O)N1CCN(C)CC1
InChIInChI=1S/C15H22N2O3/c1-12(15(18)17-10-8-16(2)9-11-17)20-14-7-5-4-6-13(14)19-3/h4-7,12H,8-11H2,1-3H3/t12-/m1/s1
InChIKeyNGMYSDHBAZMJRA-GFCCVEGCSA-N
XLogP1.24
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenoxy)-1-[4-[2-(2-methoxyphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 4981257
(2S)-1-(azepan-1-yl)-2-(2-methoxyphenoxy)propan-1-one
CID 9173596
(2R)-1-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenoxy)propan-1-one
CID 9181761
2-(2-methoxyphenoxy)-1-piperazin-1-ylpropan-1-one
CID 24705201
(2R)-2-(2-methoxyphenoxy)-1-(4-methylpiperazin-1-yl)butan-1-one
CID 28551833
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methoxyphenoxy)propan-1-one
CID 40746157
(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)propan-1-one
CID 40696539
2-methyl-1-[4-[2-(2-propan-2-ylphenoxy)propanoyl]piperazin-1-yl]propan-1-one
CID 108535800
1-(2,3-dihydroindol-1-yl)-2-(2-methoxyphenoxy)propan-1-one
CID 4943179
2-(2-fluorophenoxy)-1-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 122343571
1-[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]-2-(2-propan-2-ylphenoxy)propan-1-one
CID 108544081
2-(2-methoxyphenoxy)-1-[4-(5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-one
CID 53202690

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methoxyphenoxy)-1-(4-methylpiperazin-1-yl)propan-1-one?
The IUPAC name of (2R)-2-(2-methoxyphenoxy)-1-(4-methylpiperazin-1-yl)propan-1-one (CID 28839488) is (2R)-2-(2-methoxyphenoxy)-1-(4-methylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for (2R)-2-(2-methoxyphenoxy)-1-(4-methylpiperazin-1-yl)propan-1-one?
The canonical SMILES for (2R)-2-(2-methoxyphenoxy)-1-(4-methylpiperazin-1-yl)propan-1-one is COc1ccccc1O[C@H](C)C(=O)N1CCN(C)CC1.
What is the InChIKey of (2R)-2-(2-methoxyphenoxy)-1-(4-methylpiperazin-1-yl)propan-1-one?
The InChIKey is NGMYSDHBAZMJRA-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-12(15(18)17-10-8-16(2)9-11-17)20-14-7-5-4-6-13(14)19-3/h4-7,12H,8-11H2,1-3H3/t12-/m1/s1.
What are the key properties of (2R)-2-(2-methoxyphenoxy)-1-(4-methylpiperazin-1-yl)propan-1-one?
(2R)-2-(2-methoxyphenoxy)-1-(4-methylpiperazin-1-yl)propan-1-one has a molecular weight of 278.35 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methoxyphenoxy)-1-(4-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 28839488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).