2-(4-methylpiperazin-1-yl)-1-(2,4,6-triethoxyphenyl)ethanone

C19H30N2O4 — CID 170862115

IUPAC2-(4-methylpiperazin-1-yl)-1-(2,4,6-triethoxyphenyl)ethanone
SMILESCCOc1cc(OCC)c(C(=O)CN2CCN(C)CC2)c(OCC)c1
InChIInChI=1S/C19H30N2O4/c1-5-23-15-12-17(24-6-2)19(18(13-15)25-7-3)16(22)14-21-10-8-20(4)9-11-21/h12-13H,5-11,14H2,1-4H3
InChIKeyWJSVRPJWRWCJHO-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.31
Rot. Bonds9

About 2-(4-methylpiperazin-1-yl)-1-(2,4,6-triethoxyphenyl)ethanone

2-(4-methylpiperazin-1-yl)-1-(2,4,6-triethoxyphenyl)ethanone (PubChem CID 170862115) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-1-(2,4,6-triethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-1-(2,4,6-triethoxyphenyl)ethanone
PubChem CID170862115
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC Name2-(4-methylpiperazin-1-yl)-1-(2,4,6-triethoxyphenyl)ethanone
SMILESCCOc1cc(OCC)c(C(=O)CN2CCN(C)CC2)c(OCC)c1
InChIInChI=1S/C19H30N2O4/c1-5-23-15-12-17(24-6-2)19(18(13-15)25-7-3)16(22)14-21-10-8-20(4)9-11-21/h12-13H,5-11,14H2,1-4H3
InChIKeyWJSVRPJWRWCJHO-UHFFFAOYSA-N
XLogP2.31
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-methylpiperazin-1-yl)-1-(2,4,6-triethoxyphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-ethoxy-2-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 170862125
1-(4-ethoxy-2,6-dimethylphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one
CID 93193304
1-(4-ethoxy-2,6-dimethylphenyl)-2-piperidin-1-ylethanone
CID 82053135
1-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93191408
1-(4-ethoxy-2,6-dimethylphenyl)-2-piperazin-1-ylethanone
CID 82266551
3-methoxy-1-(2,4,6-triethoxyphenyl)propan-1-one
CID 93191508
2-(4-methylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone
CID 13306108
1-(4-ethoxy-2,3-dimethylphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one
CID 93193638
1-(2-hydroxy-3,4,6-trimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 170861684
2-piperidin-1-yl-1-(2,4,6-trimethoxyphenyl)ethanone
CID 93191529
1-(4-methoxy-2-propan-2-ylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93193900
1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93193413

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-1-(2,4,6-triethoxyphenyl)ethanone?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-1-(2,4,6-triethoxyphenyl)ethanone (CID 170862115) is 2-(4-methylpiperazin-1-yl)-1-(2,4,6-triethoxyphenyl)ethanone.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-1-(2,4,6-triethoxyphenyl)ethanone?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-1-(2,4,6-triethoxyphenyl)ethanone is CCOc1cc(OCC)c(C(=O)CN2CCN(C)CC2)c(OCC)c1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-1-(2,4,6-triethoxyphenyl)ethanone?
The InChIKey is WJSVRPJWRWCJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-5-23-15-12-17(24-6-2)19(18(13-15)25-7-3)16(22)14-21-10-8-20(4)9-11-21/h12-13H,5-11,14H2,1-4H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-1-(2,4,6-triethoxyphenyl)ethanone?
2-(4-methylpiperazin-1-yl)-1-(2,4,6-triethoxyphenyl)ethanone has a molecular weight of 350.46 g/mol, XLogP of 2.31, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-1-(2,4,6-triethoxyphenyl)ethanone is sourced from PubChem (CID 170862115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).