2-[1,4-bis(2,5-dimethoxyphenyl)-3-oxopiperazin-2-yl]acetic acid

C22H26N2O7 — CID 21203784

IUPAC2-[1,4-bis(2,5-dimethoxyphenyl)-3-oxopiperazin-2-yl]acetic acid
SMILESCOc1ccc(OC)c(N2CCN(c3cc(OC)ccc3OC)C(CC(=O)O)C2=O)c1
InChIInChI=1S/C22H26N2O7/c1-28-14-5-7-19(30-3)16(11-14)23-9-10-24(22(27)18(23)13-21(25)26)17-12-15(29-2)6-8-20(17)31-4/h5-8,11-12,18H,9-10,13H2,1-4H3,(H,25,26)
InChIKeyNWWMZEFVSBTFGU-UHFFFAOYSA-N
MW430.46 g/mol
LogP2.42
Rot. Bonds8

About 2-[1,4-bis(2,5-dimethoxyphenyl)-3-oxopiperazin-2-yl]acetic acid

2-[1,4-bis(2,5-dimethoxyphenyl)-3-oxopiperazin-2-yl]acetic acid (PubChem CID 21203784) has the molecular formula C22H26N2O7 and a molecular weight of 430.46 g/mol. Its IUPAC name is 2-[1,4-bis(2,5-dimethoxyphenyl)-3-oxopiperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1,4-bis(2,5-dimethoxyphenyl)-3-oxopiperazin-2-yl]acetic acid
PubChem CID21203784
Molecular FormulaC22H26N2O7
Molecular Weight430.46 g/mol
Exact Mass430.17
IUPAC Name2-[1,4-bis(2,5-dimethoxyphenyl)-3-oxopiperazin-2-yl]acetic acid
SMILESCOc1ccc(OC)c(N2CCN(c3cc(OC)ccc3OC)C(CC(=O)O)C2=O)c1
InChIInChI=1S/C22H26N2O7/c1-28-14-5-7-19(30-3)16(11-14)23-9-10-24(22(27)18(23)13-21(25)26)17-12-15(29-2)6-8-20(17)31-4/h5-8,11-12,18H,9-10,13H2,1-4H3,(H,25,26)
InChIKeyNWWMZEFVSBTFGU-UHFFFAOYSA-N
XLogP2.42
TPSA97.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[1,4-bis(2,5-dimethoxyphenyl)-3-oxopiperazin-2-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

1-(2,5-dimethoxyphenyl)-3-hydroxypyrrolidin-2-one
CID 117014225
(3R)-4-[2-(4-chlorophenoxy)acetyl]-1-(2,5-dimethoxyphenyl)-3-methylpiperazin-2-one
CID 93323379
1-(2,5-dimethoxyphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one
CID 24715908
(3S)-4-(2,4-dichlorobenzoyl)-1-(2,5-dimethoxyphenyl)-3-methylpiperazin-2-one
CID 93322966
4-(2,4-dichlorobenzoyl)-1-(2,5-dimethoxyphenyl)-3-methylpiperazin-2-one
CID 46036434
(3R)-1-(5-chloro-2-methoxyphenyl)-4-(2-methoxyacetyl)-3-methylpiperazin-2-one
CID 93322109
1-(5-chloro-2-methoxyphenyl)-4-[2-(4-chlorophenoxy)acetyl]-3-methylpiperazin-2-one
CID 46036409
1-(2,5-dimethoxyphenyl)-5-hydroxypiperidin-2-one
CID 117013938
4-(2,5-dimethoxyphenyl)morpholine-3-carboxylic acid
CID 117009152
1-(2,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 46048576
(1S,2S,6S,7S)-4-(2,5-dimethoxyphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 23306131
2-(6-methoxy-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)acetic acid
CID 84634962

Frequently Asked Questions

What is the IUPAC name of 2-[1,4-bis(2,5-dimethoxyphenyl)-3-oxopiperazin-2-yl]acetic acid?
The IUPAC name of 2-[1,4-bis(2,5-dimethoxyphenyl)-3-oxopiperazin-2-yl]acetic acid (CID 21203784) is 2-[1,4-bis(2,5-dimethoxyphenyl)-3-oxopiperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[1,4-bis(2,5-dimethoxyphenyl)-3-oxopiperazin-2-yl]acetic acid?
The canonical SMILES for 2-[1,4-bis(2,5-dimethoxyphenyl)-3-oxopiperazin-2-yl]acetic acid is COc1ccc(OC)c(N2CCN(c3cc(OC)ccc3OC)C(CC(=O)O)C2=O)c1.
What is the InChIKey of 2-[1,4-bis(2,5-dimethoxyphenyl)-3-oxopiperazin-2-yl]acetic acid?
The InChIKey is NWWMZEFVSBTFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O7/c1-28-14-5-7-19(30-3)16(11-14)23-9-10-24(22(27)18(23)13-21(25)26)17-12-15(29-2)6-8-20(17)31-4/h5-8,11-12,18H,9-10,13H2,1-4H3,(H,25,26).
What are the key properties of 2-[1,4-bis(2,5-dimethoxyphenyl)-3-oxopiperazin-2-yl]acetic acid?
2-[1,4-bis(2,5-dimethoxyphenyl)-3-oxopiperazin-2-yl]acetic acid has a molecular weight of 430.46 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,4-bis(2,5-dimethoxyphenyl)-3-oxopiperazin-2-yl]acetic acid is sourced from PubChem (CID 21203784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).