2-(2-chloro-3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetic acid

C16H23ClN2O4 — CID 83979248

IUPAC2-(2-chloro-3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetic acid
SMILESCCN1CCN(C(C(=O)O)c2ccc(OC)c(OC)c2Cl)CC1
InChIInChI=1S/C16H23ClN2O4/c1-4-18-7-9-19(10-8-18)14(16(20)21)11-5-6-12(22-2)15(23-3)13(11)17/h5-6,14H,4,7-10H2,1-3H3,(H,20,21)
InChIKeySLJKDODOOLLXHG-UHFFFAOYSA-N
MW342.82 g/mol
LogP2.12
Rot. Bonds6

About 2-(2-chloro-3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetic acid

2-(2-chloro-3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetic acid (PubChem CID 83979248) has the molecular formula C16H23ClN2O4 and a molecular weight of 342.82 g/mol. Its IUPAC name is 2-(2-chloro-3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-chloro-3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetic acid
PubChem CID83979248
Molecular FormulaC16H23ClN2O4
Molecular Weight342.82 g/mol
Exact Mass342.13
IUPAC Name2-(2-chloro-3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetic acid
SMILESCCN1CCN(C(C(=O)O)c2ccc(OC)c(OC)c2Cl)CC1
InChIInChI=1S/C16H23ClN2O4/c1-4-18-7-9-19(10-8-18)14(16(20)21)11-5-6-12(22-2)15(23-3)13(11)17/h5-6,14H,4,7-10H2,1-3H3,(H,20,21)
InChIKeySLJKDODOOLLXHG-UHFFFAOYSA-N
XLogP2.12
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.82
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-chloro-3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetic acid 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

2-(4-ethylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)acetic acid
CID 83979031
2-(2-chloro-3,4-dimethoxyphenyl)-2-(3-methylpiperazin-1-yl)acetic acid
CID 83979245
2-(2-chloro-3,4-dimethoxyphenyl)-2-(2,4-dimethylpiperazin-1-yl)acetic acid
CID 83979249
2-(2-chloro-3,4-dimethoxyphenyl)-2-(4-propylpiperazin-1-yl)acetonitrile
CID 112540006
2-(4-ethylpiperazin-1-yl)-2-(2-fluorophenyl)acetic acid
CID 84746417
(2R)-2-(5-chloro-2-methoxyphenyl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]acetic acid
CID 97207767
(3R)-3-amino-3-(2-chloro-3,4-dimethoxyphenyl)propanoic acid
CID 63632709
(2S)-2-(azepan-1-yl)-2-(2,4-dimethoxyphenyl)acetic acid
CID 93464327
2-(4-acetyl-1,4-diazepan-1-yl)-2-(2,3-dimethoxyphenyl)acetic acid
CID 72889820
2-[5-(methanethioylamino)-2-methoxyphenyl]-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 89257888
(2S)-2-(2,4-dimethylphenyl)-2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]acetic acid
CID 97209526
2-chloro-2-(2-chloro-3,4-dimethoxyphenyl)-N,N-diethylacetamide
CID 63630984

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetic acid?
The IUPAC name of 2-(2-chloro-3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetic acid (CID 83979248) is 2-(2-chloro-3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetic acid.
What is the SMILES notation for 2-(2-chloro-3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetic acid?
The canonical SMILES for 2-(2-chloro-3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetic acid is CCN1CCN(C(C(=O)O)c2ccc(OC)c(OC)c2Cl)CC1.
What is the InChIKey of 2-(2-chloro-3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetic acid?
The InChIKey is SLJKDODOOLLXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O4/c1-4-18-7-9-19(10-8-18)14(16(20)21)11-5-6-12(22-2)15(23-3)13(11)17/h5-6,14H,4,7-10H2,1-3H3,(H,20,21).
What are the key properties of 2-(2-chloro-3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetic acid?
2-(2-chloro-3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetic acid has a molecular weight of 342.82 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetic acid is sourced from PubChem (CID 83979248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).