(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3-methylphenoxy)butan-1-one

C22H28N2O3 — CID 28633499

IUPAC(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3-methylphenoxy)butan-1-one
SMILESCC[C@@H](Oc1cccc(C)c1)C(=O)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C22H28N2O3/c1-4-20(27-18-9-7-8-17(2)16-18)22(25)24-14-12-23(13-15-24)19-10-5-6-11-21(19)26-3/h5-11,16,20H,4,12-15H2,1-3H3/t20-/m1/s1
InChIKeySAJQBLPWYXAYLH-HXUWFJFHSA-N
MW368.48 g/mol
LogP3.51
Rot. Bonds6

About (2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3-methylphenoxy)butan-1-one

(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3-methylphenoxy)butan-1-one (PubChem CID 28633499) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is (2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3-methylphenoxy)butan-1-one.

Molecular Properties

Compound Name(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3-methylphenoxy)butan-1-one
PubChem CID28633499
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3-methylphenoxy)butan-1-one
SMILESCC[C@@H](Oc1cccc(C)c1)C(=O)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C22H28N2O3/c1-4-20(27-18-9-7-8-17(2)16-18)22(25)24-14-12-23(13-15-24)19-10-5-6-11-21(19)26-3/h5-11,16,20H,4,12-15H2,1-3H3/t20-/m1/s1
InChIKeySAJQBLPWYXAYLH-HXUWFJFHSA-N
XLogP3.51
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethylphenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one
CID 132657409
(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)butan-1-one
CID 40696529
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-phenoxybutan-1-one
CID 2930993
3-amino-2-methoxy-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 106111168
(2S)-2-phenoxy-1-[4-[(2S)-2-phenoxybutanoyl]piperazin-1-yl]butan-1-one
CID 7302330
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one
CID 17383685
ethyl 4-[(2R)-2-(3-methoxyphenoxy)butanoyl]piperazine-1-carboxylate
CID 92684270
1-(4-benzylpiperidin-1-yl)-2-(3-methylphenoxy)butan-1-one
CID 43904563
2-(3-methylphenoxy)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 46771493
4-[(2S)-2-(3-methoxyphenoxy)butanoyl]piperazine-1-carbaldehyde
CID 99956942
(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propan-1-one
CID 94055687
(2R)-2-(2-methoxyphenoxy)-1-(4-methylpiperazin-1-yl)butan-1-one
CID 28551833

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3-methylphenoxy)butan-1-one?
The IUPAC name of (2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3-methylphenoxy)butan-1-one (CID 28633499) is (2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3-methylphenoxy)butan-1-one.
What is the SMILES notation for (2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3-methylphenoxy)butan-1-one?
The canonical SMILES for (2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3-methylphenoxy)butan-1-one is CC[C@@H](Oc1cccc(C)c1)C(=O)N1CCN(c2ccccc2OC)CC1.
What is the InChIKey of (2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3-methylphenoxy)butan-1-one?
The InChIKey is SAJQBLPWYXAYLH-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-4-20(27-18-9-7-8-17(2)16-18)22(25)24-14-12-23(13-15-24)19-10-5-6-11-21(19)26-3/h5-11,16,20H,4,12-15H2,1-3H3/t20-/m1/s1.
What are the key properties of (2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3-methylphenoxy)butan-1-one?
(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3-methylphenoxy)butan-1-one has a molecular weight of 368.48 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3-methylphenoxy)butan-1-one is sourced from PubChem (CID 28633499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).