1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-(N-ethylanilino)ethanone

C23H31N3O3 — CID 55437560

IUPAC1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-(N-ethylanilino)ethanone
SMILESCCN(CC(=O)N1CCN(Cc2cc(OC)ccc2OC)CC1)c1ccccc1
InChIInChI=1S/C23H31N3O3/c1-4-25(20-8-6-5-7-9-20)18-23(27)26-14-12-24(13-15-26)17-19-16-21(28-2)10-11-22(19)29-3/h5-11,16H,4,12-15,17-18H2,1-3H3
InChIKeyJDRNUNIOAFBCEI-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.87
Rot. Bonds8

About 1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-(N-ethylanilino)ethanone

1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-(N-ethylanilino)ethanone (PubChem CID 55437560) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-(N-ethylanilino)ethanone.

Molecular Properties

Compound Name1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-(N-ethylanilino)ethanone
PubChem CID55437560
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-(N-ethylanilino)ethanone
SMILESCCN(CC(=O)N1CCN(Cc2cc(OC)ccc2OC)CC1)c1ccccc1
InChIInChI=1S/C23H31N3O3/c1-4-25(20-8-6-5-7-9-20)18-23(27)26-14-12-24(13-15-26)17-19-16-21(28-2)10-11-22(19)29-3/h5-11,16H,4,12-15,17-18H2,1-3H3
InChIKeyJDRNUNIOAFBCEI-UHFFFAOYSA-N
XLogP2.87
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-phenylacetamide
CID 30735955
3-(2-chlorophenyl)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 37350811
1-(azepan-1-yl)-2-(N-ethylanilino)ethanone
CID 54808944
2-cyclohexyl-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 55330434
1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 9452417
1-[4-[4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 55853822
[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(2-phenylphenyl)methanone
CID 37280250
1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-indol-1-ylpropan-1-one
CID 37350399
2-(4-bromophenoxy)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethanone;oxalic acid
CID 17385092
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-methylacetamide
CID 30986347
(2-aminophenyl)-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 119946117
(3,4-dimethoxyphenyl)-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1131708

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-(N-ethylanilino)ethanone?
The IUPAC name of 1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-(N-ethylanilino)ethanone (CID 55437560) is 1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-(N-ethylanilino)ethanone.
What is the SMILES notation for 1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-(N-ethylanilino)ethanone?
The canonical SMILES for 1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-(N-ethylanilino)ethanone is CCN(CC(=O)N1CCN(Cc2cc(OC)ccc2OC)CC1)c1ccccc1.
What is the InChIKey of 1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-(N-ethylanilino)ethanone?
The InChIKey is JDRNUNIOAFBCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-4-25(20-8-6-5-7-9-20)18-23(27)26-14-12-24(13-15-26)17-19-16-21(28-2)10-11-22(19)29-3/h5-11,16H,4,12-15,17-18H2,1-3H3.
What are the key properties of 1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-(N-ethylanilino)ethanone?
1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-(N-ethylanilino)ethanone has a molecular weight of 397.52 g/mol, XLogP of 2.87, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-(N-ethylanilino)ethanone is sourced from PubChem (CID 55437560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).