4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)butylamino]ethyl]benzoic acid

C24H30N2O3 — CID 3021471

IUPAC4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)butylamino]ethyl]benzoic acid
SMILESCCCC(NC(=O)Cc1ccc(C(=O)O)cc1)c1ccccc1N1CCCCC1
InChIInChI=1S/C24H30N2O3/c1-2-8-21(20-9-4-5-10-22(20)26-15-6-3-7-16-26)25-23(27)17-18-11-13-19(14-12-18)24(28)29/h4-5,9-14,21H,2-3,6-8,15-17H2,1H3,(H,25,27)(H,28,29)
InChIKeyFZOSSMRFMRLQEU-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.58
Rot. Bonds8

About 4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)butylamino]ethyl]benzoic acid

4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)butylamino]ethyl]benzoic acid (PubChem CID 3021471) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)butylamino]ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)butylamino]ethyl]benzoic acid
PubChem CID3021471
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)butylamino]ethyl]benzoic acid
SMILESCCCC(NC(=O)Cc1ccc(C(=O)O)cc1)c1ccccc1N1CCCCC1
InChIInChI=1S/C24H30N2O3/c1-2-8-21(20-9-4-5-10-22(20)26-15-6-3-7-16-26)25-23(27)17-18-11-13-19(14-12-18)24(28)29/h4-5,9-14,21H,2-3,6-8,15-17H2,1H3,(H,25,27)(H,28,29)
InChIKeyFZOSSMRFMRLQEU-UHFFFAOYSA-N
XLogP4.58
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)butylamino]ethyl]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

Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)butylamino]ethyl]benzoic acid?
The IUPAC name of 4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)butylamino]ethyl]benzoic acid (CID 3021471) is 4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)butylamino]ethyl]benzoic acid.
What is the SMILES notation for 4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)butylamino]ethyl]benzoic acid?
The canonical SMILES for 4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)butylamino]ethyl]benzoic acid is CCCC(NC(=O)Cc1ccc(C(=O)O)cc1)c1ccccc1N1CCCCC1.
What is the InChIKey of 4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)butylamino]ethyl]benzoic acid?
The InChIKey is FZOSSMRFMRLQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-2-8-21(20-9-4-5-10-22(20)26-15-6-3-7-16-26)25-23(27)17-18-11-13-19(14-12-18)24(28)29/h4-5,9-14,21H,2-3,6-8,15-17H2,1H3,(H,25,27)(H,28,29).
What are the key properties of 4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)butylamino]ethyl]benzoic acid?
4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)butylamino]ethyl]benzoic acid has a molecular weight of 394.52 g/mol, XLogP of 4.58, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)butylamino]ethyl]benzoic acid is sourced from PubChem (CID 3021471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).