2-(4-ethylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)acetic acid

C17H26N2O5 — CID 83979031

IUPAC2-(4-ethylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)acetic acid
SMILESCCN1CCN(C(C(=O)O)c2cc(OC)c(OC)c(OC)c2)CC1
InChIInChI=1S/C17H26N2O5/c1-5-18-6-8-19(9-7-18)15(17(20)21)12-10-13(22-2)16(24-4)14(11-12)23-3/h10-11,15H,5-9H2,1-4H3,(H,20,21)
InChIKeyUJVSEBMVZHGNSN-UHFFFAOYSA-N
MW338.40 g/mol
LogP1.48
Rot. Bonds7

About 2-(4-ethylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)acetic acid

2-(4-ethylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)acetic acid (PubChem CID 83979031) has the molecular formula C17H26N2O5 and a molecular weight of 338.40 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)acetic acid
PubChem CID83979031
Molecular FormulaC17H26N2O5
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC Name2-(4-ethylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)acetic acid
SMILESCCN1CCN(C(C(=O)O)c2cc(OC)c(OC)c(OC)c2)CC1
InChIInChI=1S/C17H26N2O5/c1-5-18-6-8-19(9-7-18)15(17(20)21)12-10-13(22-2)16(24-4)14(11-12)23-3/h10-11,15H,5-9H2,1-4H3,(H,20,21)
InChIKeyUJVSEBMVZHGNSN-UHFFFAOYSA-N
XLogP1.48
TPSA71.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(4-phenylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)acetic acid
CID 97200415
2-(2-chloro-3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetic acid
CID 83979248
2-(azetidin-1-yl)-2-(4-methoxy-3,5-dimethylphenyl)acetic acid
CID 46996116
(2R)-2-(3,4,5-trimethoxyphenyl)butanoic acid
CID 40634420
2-(4-ethylpiperazin-1-yl)-2-(4-nitrophenyl)acetic acid
CID 84751162
1-(3-amino-4-methoxyphenyl)-2-(4-ethylpiperazin-1-yl)butan-1-one
CID 82256692
2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-2-thiophen-3-ylacetic acid
CID 72919090
3-[4-[carboxy-(6-methoxynaphthalen-2-yl)methyl]piperazin-1-yl]propanoic acid
CID 135118356
1-propan-2-yl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 828691
2-(4-ethylpiperazin-1-yl)-2-phenylacetamide
CID 86915510
2-amino-2-(3,4,5-trimethoxyphenyl)acetic acid
CID 5100265
N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-3,4,5-trimethoxybenzamide
CID 16881351

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)acetic acid?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)acetic acid (CID 83979031) is 2-(4-ethylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)acetic acid.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)acetic acid?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)acetic acid is CCN1CCN(C(C(=O)O)c2cc(OC)c(OC)c(OC)c2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)acetic acid?
The InChIKey is UJVSEBMVZHGNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O5/c1-5-18-6-8-19(9-7-18)15(17(20)21)12-10-13(22-2)16(24-4)14(11-12)23-3/h10-11,15H,5-9H2,1-4H3,(H,20,21).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)acetic acid?
2-(4-ethylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)acetic acid has a molecular weight of 338.40 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)acetic acid is sourced from PubChem (CID 83979031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).