2-[4-[3-(2,5-dimethoxyphenyl)propanoyl]piperazin-1-yl]-N,N-diethylacetamide

C21H33N3O4 — CID 55550381

IUPAC2-[4-[3-(2,5-dimethoxyphenyl)propanoyl]piperazin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCN(C(=O)CCc2cc(OC)ccc2OC)CC1
InChIInChI=1S/C21H33N3O4/c1-5-23(6-2)21(26)16-22-11-13-24(14-12-22)20(25)10-7-17-15-18(27-3)8-9-19(17)28-4/h8-9,15H,5-7,10-14,16H2,1-4H3
InChIKeyLVEXWNGMXYUKCL-UHFFFAOYSA-N
MW391.51 g/mol
LogP1.65
Rot. Bonds9

About 2-[4-[3-(2,5-dimethoxyphenyl)propanoyl]piperazin-1-yl]-N,N-diethylacetamide

2-[4-[3-(2,5-dimethoxyphenyl)propanoyl]piperazin-1-yl]-N,N-diethylacetamide (PubChem CID 55550381) has the molecular formula C21H33N3O4 and a molecular weight of 391.51 g/mol. Its IUPAC name is 2-[4-[3-(2,5-dimethoxyphenyl)propanoyl]piperazin-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[4-[3-(2,5-dimethoxyphenyl)propanoyl]piperazin-1-yl]-N,N-diethylacetamide
PubChem CID55550381
Molecular FormulaC21H33N3O4
Molecular Weight391.51 g/mol
Exact Mass391.25
IUPAC Name2-[4-[3-(2,5-dimethoxyphenyl)propanoyl]piperazin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCN(C(=O)CCc2cc(OC)ccc2OC)CC1
InChIInChI=1S/C21H33N3O4/c1-5-23(6-2)21(26)16-22-11-13-24(14-12-22)20(25)10-7-17-15-18(27-3)8-9-19(17)28-4/h8-9,15H,5-7,10-14,16H2,1-4H3
InChIKeyLVEXWNGMXYUKCL-UHFFFAOYSA-N
XLogP1.65
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-chlorophenyl)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 37350811
2-[4-[3-(2,4-dichlorophenyl)propanoyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide
CID 55642380
3-(2,5-dimethoxyphenyl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propan-1-one
CID 38031826
2-[4-[1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide
CID 55642105
1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-(N-ethylanilino)ethanone
CID 55437560
2-[4-[4-(4-ethoxyphenyl)-4-oxobutanoyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide
CID 55642249
1-(4-acetylpiperazin-1-yl)-2-(2,5-dimethoxyphenyl)ethanone
CID 78821506
2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 30147939
2-(2,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 51072972
3-(2,5-dimethoxyphenyl)-1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 134047616
1-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 31559483
2-[4-[3-(2,5-dimethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 119248755

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2,5-dimethoxyphenyl)propanoyl]piperazin-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[4-[3-(2,5-dimethoxyphenyl)propanoyl]piperazin-1-yl]-N,N-diethylacetamide (CID 55550381) is 2-[4-[3-(2,5-dimethoxyphenyl)propanoyl]piperazin-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[4-[3-(2,5-dimethoxyphenyl)propanoyl]piperazin-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[4-[3-(2,5-dimethoxyphenyl)propanoyl]piperazin-1-yl]-N,N-diethylacetamide is CCN(CC)C(=O)CN1CCN(C(=O)CCc2cc(OC)ccc2OC)CC1.
What is the InChIKey of 2-[4-[3-(2,5-dimethoxyphenyl)propanoyl]piperazin-1-yl]-N,N-diethylacetamide?
The InChIKey is LVEXWNGMXYUKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O4/c1-5-23(6-2)21(26)16-22-11-13-24(14-12-22)20(25)10-7-17-15-18(27-3)8-9-19(17)28-4/h8-9,15H,5-7,10-14,16H2,1-4H3.
What are the key properties of 2-[4-[3-(2,5-dimethoxyphenyl)propanoyl]piperazin-1-yl]-N,N-diethylacetamide?
2-[4-[3-(2,5-dimethoxyphenyl)propanoyl]piperazin-1-yl]-N,N-diethylacetamide has a molecular weight of 391.51 g/mol, XLogP of 1.65, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2,5-dimethoxyphenyl)propanoyl]piperazin-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 55550381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).