2-[2-(2-methoxyphenoxy)ethyl-methylamino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone

C23H31N3O4 — CID 55830450

IUPAC2-[2-(2-methoxyphenoxy)ethyl-methylamino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(N2CCN(C(=O)CN(C)CCOc3ccccc3OC)CC2)cc1
InChIInChI=1S/C23H31N3O4/c1-24(16-17-30-22-7-5-4-6-21(22)29-3)18-23(27)26-14-12-25(13-15-26)19-8-10-20(28-2)11-9-19/h4-11H,12-18H2,1-3H3
InChIKeyUUEPSDOUVNDMKR-UHFFFAOYSA-N
MW413.52 g/mol
LogP2.36
Rot. Bonds9

About 2-[2-(2-methoxyphenoxy)ethyl-methylamino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone

2-[2-(2-methoxyphenoxy)ethyl-methylamino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 55830450) has the molecular formula C23H31N3O4 and a molecular weight of 413.52 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenoxy)ethyl-methylamino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[2-(2-methoxyphenoxy)ethyl-methylamino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
PubChem CID55830450
Molecular FormulaC23H31N3O4
Molecular Weight413.52 g/mol
Exact Mass413.23
IUPAC Name2-[2-(2-methoxyphenoxy)ethyl-methylamino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(N2CCN(C(=O)CN(C)CCOc3ccccc3OC)CC2)cc1
InChIInChI=1S/C23H31N3O4/c1-24(16-17-30-22-7-5-4-6-21(22)29-3)18-23(27)26-14-12-25(13-15-26)19-8-10-20(28-2)11-9-19/h4-11H,12-18H2,1-3H3
InChIKeyUUEPSDOUVNDMKR-UHFFFAOYSA-N
XLogP2.36
TPSA54.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-(4-methoxyphenoxy)ethyl-methylamino]ethanone
CID 78795589
2-[2-(4-chlorophenoxy)ethyl-methylamino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 4781236
2-[2-(4-fluorophenoxy)ethyl-methylamino]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 55431470
3-[benzyl(methyl)amino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109020605
2-(2-methoxyphenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 6466814
2-(2-methoxyphenoxy)-1-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]ethanone
CID 113078931
2-(2-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 823385
1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-[2-(2-methoxyphenoxy)ethyl-methylamino]ethanone
CID 55868194
2-(2-chlorophenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 2677305
3-amino-1-[4-[3-(2-methoxyphenoxy)propanoyl]piperazin-1-yl]propan-1-one
CID 4740257
3-(2,6-dimethoxyphenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 100789580
1-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-4-naphthalen-1-yloxybutan-1-one
CID 55918821

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenoxy)ethyl-methylamino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[2-(2-methoxyphenoxy)ethyl-methylamino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone (CID 55830450) is 2-[2-(2-methoxyphenoxy)ethyl-methylamino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[2-(2-methoxyphenoxy)ethyl-methylamino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[2-(2-methoxyphenoxy)ethyl-methylamino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone is COc1ccc(N2CCN(C(=O)CN(C)CCOc3ccccc3OC)CC2)cc1.
What is the InChIKey of 2-[2-(2-methoxyphenoxy)ethyl-methylamino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is UUEPSDOUVNDMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4/c1-24(16-17-30-22-7-5-4-6-21(22)29-3)18-23(27)26-14-12-25(13-15-26)19-8-10-20(28-2)11-9-19/h4-11H,12-18H2,1-3H3.
What are the key properties of 2-[2-(2-methoxyphenoxy)ethyl-methylamino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone?
2-[2-(2-methoxyphenoxy)ethyl-methylamino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 413.52 g/mol, XLogP of 2.36, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenoxy)ethyl-methylamino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 55830450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).