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

C16H24N2O3 — CID 28551833

IUPAC(2R)-2-(2-methoxyphenoxy)-1-(4-methylpiperazin-1-yl)butan-1-one
SMILESCC[C@@H](Oc1ccccc1OC)C(=O)N1CCN(C)CC1
InChIInChI=1S/C16H24N2O3/c1-4-13(16(19)18-11-9-17(2)10-12-18)21-15-8-6-5-7-14(15)20-3/h5-8,13H,4,9-12H2,1-3H3/t13-/m1/s1
InChIKeyNFLIAOMNYPLLIN-CYBMUJFWSA-N
MW292.38 g/mol
LogP1.63
Rot. Bonds5

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

(2R)-2-(2-methoxyphenoxy)-1-(4-methylpiperazin-1-yl)butan-1-one (PubChem CID 28551833) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (2R)-2-(2-methoxyphenoxy)-1-(4-methylpiperazin-1-yl)butan-1-one.

Molecular Properties

Compound Name(2R)-2-(2-methoxyphenoxy)-1-(4-methylpiperazin-1-yl)butan-1-one
PubChem CID28551833
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(2R)-2-(2-methoxyphenoxy)-1-(4-methylpiperazin-1-yl)butan-1-one
SMILESCC[C@@H](Oc1ccccc1OC)C(=O)N1CCN(C)CC1
InChIInChI=1S/C16H24N2O3/c1-4-13(16(19)18-11-9-17(2)10-12-18)21-15-8-6-5-7-14(15)20-3/h5-8,13H,4,9-12H2,1-3H3/t13-/m1/s1
InChIKeyNFLIAOMNYPLLIN-CYBMUJFWSA-N
XLogP1.63
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(2-methoxyphenoxy)-1-(4-methylpiperazin-1-yl)butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenoxy)butan-1-one
CID 9173128
(2S)-1-(4-methylpiperazin-1-yl)-2-naphthalen-1-yloxybutan-1-one
CID 92684366
(2R)-2-(2-methoxyphenoxy)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 28839488
(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)butan-1-one
CID 40696529
2-(2-methylphenoxy)-1-[4-[2-(2-methylphenoxy)butanoyl]-1,4-diazepan-1-yl]butan-1-one
CID 4981254
2-(3,4-dimethylphenoxy)-1-(4-methylpiperazin-1-yl)butan-1-one
CID 17250166
(2S)-2-phenoxy-1-[4-[(2S)-2-phenoxybutanoyl]piperazin-1-yl]butan-1-one
CID 7302330
(2R)-2-(2-methoxyphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide
CID 99132139
(2R)-2-(2-methylphenoxy)-1-piperidin-1-ylbutan-1-one
CID 93488066
(2R)-2-(2-methoxyphenoxy)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]butanamide
CID 99972794
2-(3,5-dimethylphenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one
CID 132657409
(2R)-2-(2-fluorophenoxy)-1-piperidin-1-ylbutan-1-one
CID 9173642

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methoxyphenoxy)-1-(4-methylpiperazin-1-yl)butan-1-one?
The IUPAC name of (2R)-2-(2-methoxyphenoxy)-1-(4-methylpiperazin-1-yl)butan-1-one (CID 28551833) is (2R)-2-(2-methoxyphenoxy)-1-(4-methylpiperazin-1-yl)butan-1-one.
What is the SMILES notation for (2R)-2-(2-methoxyphenoxy)-1-(4-methylpiperazin-1-yl)butan-1-one?
The canonical SMILES for (2R)-2-(2-methoxyphenoxy)-1-(4-methylpiperazin-1-yl)butan-1-one is CC[C@@H](Oc1ccccc1OC)C(=O)N1CCN(C)CC1.
What is the InChIKey of (2R)-2-(2-methoxyphenoxy)-1-(4-methylpiperazin-1-yl)butan-1-one?
The InChIKey is NFLIAOMNYPLLIN-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-13(16(19)18-11-9-17(2)10-12-18)21-15-8-6-5-7-14(15)20-3/h5-8,13H,4,9-12H2,1-3H3/t13-/m1/s1.
What are the key properties of (2R)-2-(2-methoxyphenoxy)-1-(4-methylpiperazin-1-yl)butan-1-one?
(2R)-2-(2-methoxyphenoxy)-1-(4-methylpiperazin-1-yl)butan-1-one has a molecular weight of 292.38 g/mol, XLogP of 1.63, 5 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)butan-1-one is sourced from PubChem (CID 28551833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).