4-[4-[2-(4-methoxyanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid

C20H23N3O4 — CID 20680478

IUPAC4-[4-[2-(4-methoxyanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid
SMILESCOc1ccc(NC(=O)CN2CCN(c3ccc(C(=O)O)cc3)CC2)cc1
InChIInChI=1S/C20H23N3O4/c1-27-18-8-4-16(5-9-18)21-19(24)14-22-10-12-23(13-11-22)17-6-2-15(3-7-17)20(25)26/h2-9H,10-14H2,1H3,(H,21,24)(H,25,26)
InChIKeyVSZXIIKPBYYFTL-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.15
Rot. Bonds6

About 4-[4-[2-(4-methoxyanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid

4-[4-[2-(4-methoxyanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid (PubChem CID 20680478) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 4-[4-[2-(4-methoxyanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid.

Molecular Properties

Compound Name4-[4-[2-(4-methoxyanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid
PubChem CID20680478
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name4-[4-[2-(4-methoxyanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid
SMILESCOc1ccc(NC(=O)CN2CCN(c3ccc(C(=O)O)cc3)CC2)cc1
InChIInChI=1S/C20H23N3O4/c1-27-18-8-4-16(5-9-18)21-19(24)14-22-10-12-23(13-11-22)17-6-2-15(3-7-17)20(25)26/h2-9H,10-14H2,1H3,(H,21,24)(H,25,26)
InChIKeyVSZXIIKPBYYFTL-UHFFFAOYSA-N
XLogP2.15
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 863788
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide
CID 18126812
dimethyl 5-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]amino]benzene-1,3-dicarboxylate
CID 22198635
N-(3,5-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 1374681
N-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide;dihydrochloride
CID 17132212
N-(3-acetylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 7935502
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 8591755
2-[4-(4-methoxyphenyl)piperazin-1-yl]acetohydrazide
CID 2755809
N-(4-methoxyphenyl)-2-morpholin-4-ylacetamide;oxalic acid
CID 11948773
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 1443713
N-(4-methoxyphenyl)-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide
CID 171998493
2-(4-hydroxypiperidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 51171901

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(4-methoxyanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid?
The IUPAC name of 4-[4-[2-(4-methoxyanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid (CID 20680478) is 4-[4-[2-(4-methoxyanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid.
What is the SMILES notation for 4-[4-[2-(4-methoxyanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid?
The canonical SMILES for 4-[4-[2-(4-methoxyanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid is COc1ccc(NC(=O)CN2CCN(c3ccc(C(=O)O)cc3)CC2)cc1.
What is the InChIKey of 4-[4-[2-(4-methoxyanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid?
The InChIKey is VSZXIIKPBYYFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-27-18-8-4-16(5-9-18)21-19(24)14-22-10-12-23(13-11-22)17-6-2-15(3-7-17)20(25)26/h2-9H,10-14H2,1H3,(H,21,24)(H,25,26).
What are the key properties of 4-[4-[2-(4-methoxyanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid?
4-[4-[2-(4-methoxyanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid has a molecular weight of 369.42 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(4-methoxyanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid is sourced from PubChem (CID 20680478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).