3-(3-methoxyphenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-1-one

C22H28N2O2 — CID 110398756

IUPAC3-(3-methoxyphenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-1-one
SMILESCOc1cccc(CCC(=O)N2CCN(Cc3ccc(C)cc3)CC2)c1
InChIInChI=1S/C22H28N2O2/c1-18-6-8-20(9-7-18)17-23-12-14-24(15-13-23)22(25)11-10-19-4-3-5-21(16-19)26-2/h3-9,16H,10-15,17H2,1-2H3
InChIKeySTWLZJGXIVZZCU-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.28
Rot. Bonds6

About 3-(3-methoxyphenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-1-one

3-(3-methoxyphenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-1-one (PubChem CID 110398756) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-1-one
PubChem CID110398756
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name3-(3-methoxyphenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-1-one
SMILESCOc1cccc(CCC(=O)N2CCN(Cc3ccc(C)cc3)CC2)c1
InChIInChI=1S/C22H28N2O2/c1-18-6-8-20(9-7-18)17-23-12-14-24(15-13-23)22(25)11-10-19-4-3-5-21(16-19)26-2/h3-9,16H,10-15,17H2,1-2H3
InChIKeySTWLZJGXIVZZCU-UHFFFAOYSA-N
XLogP3.28
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-1-one
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1-[4-[2-(2,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one
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3-(3-methoxyphenyl)-1-[4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]propan-1-one
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3-(3-methoxyphenyl)-1-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]propan-1-one
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1-(4-acetyl-1,4-diazepan-1-yl)-3-(3-methoxyphenyl)propan-1-one
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3-(3,5-dimethoxyphenyl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 134033185
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 60556729
3-(3-methoxyphenyl)-1-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(3-methoxyphenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-1-one (CID 110398756) is 3-(3-methoxyphenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3-methoxyphenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(3-methoxyphenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-1-one is COc1cccc(CCC(=O)N2CCN(Cc3ccc(C)cc3)CC2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-1-one?
The InChIKey is STWLZJGXIVZZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-18-6-8-20(9-7-18)17-23-12-14-24(15-13-23)22(25)11-10-19-4-3-5-21(16-19)26-2/h3-9,16H,10-15,17H2,1-2H3.
What are the key properties of 3-(3-methoxyphenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-1-one?
3-(3-methoxyphenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-1-one has a molecular weight of 352.48 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 110398756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).