2-(3,4-diethoxyphenyl)-2-(3,4-dimethylpiperazin-1-yl)acetic acid

C18H28N2O4 — CID 83979590

IUPAC2-(3,4-diethoxyphenyl)-2-(3,4-dimethylpiperazin-1-yl)acetic acid
SMILESCCOc1ccc(C(C(=O)O)N2CCN(C)C(C)C2)cc1OCC
InChIInChI=1S/C18H28N2O4/c1-5-23-15-8-7-14(11-16(15)24-6-2)17(18(21)22)20-10-9-19(4)13(3)12-20/h7-8,11,13,17H,5-6,9-10,12H2,1-4H3,(H,21,22)
InChIKeyINMAUCMLRBVLLH-UHFFFAOYSA-N
MW336.43 g/mol
LogP2.25
Rot. Bonds7

About 2-(3,4-diethoxyphenyl)-2-(3,4-dimethylpiperazin-1-yl)acetic acid

2-(3,4-diethoxyphenyl)-2-(3,4-dimethylpiperazin-1-yl)acetic acid (PubChem CID 83979590) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is 2-(3,4-diethoxyphenyl)-2-(3,4-dimethylpiperazin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3,4-diethoxyphenyl)-2-(3,4-dimethylpiperazin-1-yl)acetic acid
PubChem CID83979590
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name2-(3,4-diethoxyphenyl)-2-(3,4-dimethylpiperazin-1-yl)acetic acid
SMILESCCOc1ccc(C(C(=O)O)N2CCN(C)C(C)C2)cc1OCC
InChIInChI=1S/C18H28N2O4/c1-5-23-15-8-7-14(11-16(15)24-6-2)17(18(21)22)20-10-9-19(4)13(3)12-20/h7-8,11,13,17H,5-6,9-10,12H2,1-4H3,(H,21,22)
InChIKeyINMAUCMLRBVLLH-UHFFFAOYSA-N
XLogP2.25
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3,4-diethoxyphenyl)-2-(3,4-dimethylpiperazin-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-(3-bromophenyl)-2-(3,4-dimethylpiperazin-1-yl)acetic acid
CID 83979780
2-(3-chloro-4-ethoxyphenyl)-2-(3-methylpiperazin-1-yl)acetic acid
CID 83979858
2-(3,4-dimethylpiperazin-1-yl)-2-thiophen-2-ylacetic acid
CID 83979331
2-(3,4-diethoxyphenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 83979576
(5R)-5-amino-5-(3,4-diethoxyphenyl)pentanoic acid
CID 28931104
1-(3,4-diethoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 82073664
1-[(3,4-diethoxyphenyl)-phenylmethyl]piperidine-3-carboxylic acid
CID 3691753
2-(4-ethoxy-3-methoxyphenyl)-2-(3-methyl-4-propylpiperazin-1-yl)acetonitrile
CID 112540026
2-(3,4-dimethylpiperazin-1-yl)-1-phenylbutan-1-one
CID 55215618
2-(3-chloro-4-propoxyphenyl)-2-(4-methylpiperazin-1-yl)acetic acid
CID 83979811
2-(2,4-diethoxyphenyl)-2-(3,4-dimethylpiperazin-1-yl)acetonitrile
CID 112540328
2-(3,4-diethoxyphenyl)butanedioic acid
CID 4917876

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-diethoxyphenyl)-2-(3,4-dimethylpiperazin-1-yl)acetic acid?
The IUPAC name of 2-(3,4-diethoxyphenyl)-2-(3,4-dimethylpiperazin-1-yl)acetic acid (CID 83979590) is 2-(3,4-diethoxyphenyl)-2-(3,4-dimethylpiperazin-1-yl)acetic acid.
What is the SMILES notation for 2-(3,4-diethoxyphenyl)-2-(3,4-dimethylpiperazin-1-yl)acetic acid?
The canonical SMILES for 2-(3,4-diethoxyphenyl)-2-(3,4-dimethylpiperazin-1-yl)acetic acid is CCOc1ccc(C(C(=O)O)N2CCN(C)C(C)C2)cc1OCC.
What is the InChIKey of 2-(3,4-diethoxyphenyl)-2-(3,4-dimethylpiperazin-1-yl)acetic acid?
The InChIKey is INMAUCMLRBVLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-5-23-15-8-7-14(11-16(15)24-6-2)17(18(21)22)20-10-9-19(4)13(3)12-20/h7-8,11,13,17H,5-6,9-10,12H2,1-4H3,(H,21,22).
What are the key properties of 2-(3,4-diethoxyphenyl)-2-(3,4-dimethylpiperazin-1-yl)acetic acid?
2-(3,4-diethoxyphenyl)-2-(3,4-dimethylpiperazin-1-yl)acetic acid has a molecular weight of 336.43 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-diethoxyphenyl)-2-(3,4-dimethylpiperazin-1-yl)acetic acid is sourced from PubChem (CID 83979590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).