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

C21H26N2O4 — CID 8001578

IUPAC3-(4-methoxyphenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccc(OCCC(=O)N2CCN(c3cccc(OC)c3)CC2)cc1
InChIInChI=1S/C21H26N2O4/c1-25-18-6-8-19(9-7-18)27-15-10-21(24)23-13-11-22(12-14-23)17-4-3-5-20(16-17)26-2/h3-9,16H,10-15H2,1-2H3
InChIKeyZLZUZRQBQSKFHY-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.82
Rot. Bonds7

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

3-(4-methoxyphenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one (PubChem CID 8001578) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-(4-methoxyphenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-methoxyphenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
PubChem CID8001578
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name3-(4-methoxyphenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccc(OCCC(=O)N2CCN(c3cccc(OC)c3)CC2)cc1
InChIInChI=1S/C21H26N2O4/c1-25-18-6-8-19(9-7-18)27-15-10-21(24)23-13-11-22(12-14-23)17-4-3-5-20(16-17)26-2/h3-9,16H,10-15H2,1-2H3
InChIKeyZLZUZRQBQSKFHY-UHFFFAOYSA-N
XLogP2.82
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(4-methoxyphenyl)sulfanylpropan-1-one
CID 31912861
3-(4-hydroxyphenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 4741202
4-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]benzaldehyde
CID 78878555
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(4-methoxyphenoxy)propan-1-one
CID 2509747
1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 113074785
2-(3-methoxyphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372538
1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 78768997
[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 3-phenoxypropanoate
CID 7841528
1-[4-(4-methylphenyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 113075303
4-phenoxy-1-(4-phenylpiperazin-1-yl)butan-1-one
CID 2290599
2-(3-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 56698277
3-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-one
CID 60835678

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(4-methoxyphenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one (CID 8001578) is 3-(4-methoxyphenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-methoxyphenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-methoxyphenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one is COc1ccc(OCCC(=O)N2CCN(c3cccc(OC)c3)CC2)cc1.
What is the InChIKey of 3-(4-methoxyphenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is ZLZUZRQBQSKFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-25-18-6-8-19(9-7-18)27-15-10-21(24)23-13-11-22(12-14-23)17-4-3-5-20(16-17)26-2/h3-9,16H,10-15H2,1-2H3.
What are the key properties of 3-(4-methoxyphenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one?
3-(4-methoxyphenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 370.45 g/mol, XLogP of 2.82, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 8001578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).