4-[4-(2-naphthalen-1-yloxyacetyl)piperazine-1-carbonyl]benzoic acid

C24H22N2O5 — CID 2050449

IUPAC4-[4-(2-naphthalen-1-yloxyacetyl)piperazine-1-carbonyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)N2CCN(C(=O)COc3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C24H22N2O5/c27-22(16-31-21-7-3-5-17-4-1-2-6-20(17)21)25-12-14-26(15-13-25)23(28)18-8-10-19(11-9-18)24(29)30/h1-11H,12-16H2,(H,29,30)
InChIKeyNZWXMMVYGPHFSL-UHFFFAOYSA-N
MW418.45 g/mol
LogP2.90
Rot. Bonds5

About 4-[4-(2-naphthalen-1-yloxyacetyl)piperazine-1-carbonyl]benzoic acid

4-[4-(2-naphthalen-1-yloxyacetyl)piperazine-1-carbonyl]benzoic acid (PubChem CID 2050449) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is 4-[4-(2-naphthalen-1-yloxyacetyl)piperazine-1-carbonyl]benzoic acid.

Molecular Properties

Compound Name4-[4-(2-naphthalen-1-yloxyacetyl)piperazine-1-carbonyl]benzoic acid
PubChem CID2050449
Molecular FormulaC24H22N2O5
Molecular Weight418.45 g/mol
Exact Mass418.15
IUPAC Name4-[4-(2-naphthalen-1-yloxyacetyl)piperazine-1-carbonyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)N2CCN(C(=O)COc3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C24H22N2O5/c27-22(16-31-21-7-3-5-17-4-1-2-6-20(17)21)25-12-14-26(15-13-25)23(28)18-8-10-19(11-9-18)24(29)30/h1-11H,12-16H2,(H,29,30)
InChIKeyNZWXMMVYGPHFSL-UHFFFAOYSA-N
XLogP2.90
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-(2-naphthalen-1-yloxyacetyl)piperazine-1-carbonyl]benzoic 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-(2-naphthalen-1-yloxyacetyl)piperazine-1-carbonyl]benzoic acid
CID 2050442
1-morpholin-4-yl-2-naphthalen-1-yloxyethanone
CID 954548
1-(2-naphthalen-1-yloxyacetyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433455
1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 39572448
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-naphthalen-1-yloxyethanone
CID 112823841
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 110366126
2-(2-phenylphenoxy)-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone
CID 46423310
1-(4-benzoylpiperazin-1-yl)-2-(2-benzylphenoxy)ethanone
CID 7936761
1-(4-benzoylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 18112391
1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 55552002
4-[4-[2-(3-methylphenoxy)acetyl]piperazine-1-carbonyl]benzoic acid
CID 2050329
1-(4-methylsulfonyl-1,4-diazepan-1-yl)-2-naphthalen-1-yloxyethanone
CID 39977224

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-naphthalen-1-yloxyacetyl)piperazine-1-carbonyl]benzoic acid?
The IUPAC name of 4-[4-(2-naphthalen-1-yloxyacetyl)piperazine-1-carbonyl]benzoic acid (CID 2050449) is 4-[4-(2-naphthalen-1-yloxyacetyl)piperazine-1-carbonyl]benzoic acid.
What is the SMILES notation for 4-[4-(2-naphthalen-1-yloxyacetyl)piperazine-1-carbonyl]benzoic acid?
The canonical SMILES for 4-[4-(2-naphthalen-1-yloxyacetyl)piperazine-1-carbonyl]benzoic acid is O=C(O)c1ccc(C(=O)N2CCN(C(=O)COc3cccc4ccccc34)CC2)cc1.
What is the InChIKey of 4-[4-(2-naphthalen-1-yloxyacetyl)piperazine-1-carbonyl]benzoic acid?
The InChIKey is NZWXMMVYGPHFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5/c27-22(16-31-21-7-3-5-17-4-1-2-6-20(17)21)25-12-14-26(15-13-25)23(28)18-8-10-19(11-9-18)24(29)30/h1-11H,12-16H2,(H,29,30).
What are the key properties of 4-[4-(2-naphthalen-1-yloxyacetyl)piperazine-1-carbonyl]benzoic acid?
4-[4-(2-naphthalen-1-yloxyacetyl)piperazine-1-carbonyl]benzoic acid has a molecular weight of 418.45 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-naphthalen-1-yloxyacetyl)piperazine-1-carbonyl]benzoic acid is sourced from PubChem (CID 2050449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).