3-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)ethylamino]ethyl]benzoic acid

C22H26N2O3 — CID 10595062

IUPAC3-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)ethylamino]ethyl]benzoic acid
SMILESCC(NC(=O)Cc1cccc(C(=O)O)c1)c1ccccc1N1CCCCC1
InChIInChI=1S/C22H26N2O3/c1-16(19-10-3-4-11-20(19)24-12-5-2-6-13-24)23-21(25)15-17-8-7-9-18(14-17)22(26)27/h3-4,7-11,14,16H,2,5-6,12-13,15H2,1H3,(H,23,25)(H,26,27)
InChIKeyMADUIELAVWVYLW-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.80
Rot. Bonds6

About 3-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)ethylamino]ethyl]benzoic acid

3-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)ethylamino]ethyl]benzoic acid (PubChem CID 10595062) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 3-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)ethylamino]ethyl]benzoic acid.

Molecular Properties

Compound Name3-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)ethylamino]ethyl]benzoic acid
PubChem CID10595062
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name3-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)ethylamino]ethyl]benzoic acid
SMILESCC(NC(=O)Cc1cccc(C(=O)O)c1)c1ccccc1N1CCCCC1
InChIInChI=1S/C22H26N2O3/c1-16(19-10-3-4-11-20(19)24-12-5-2-6-13-24)23-21(25)15-17-8-7-9-18(14-17)22(26)27/h3-4,7-11,14,16H,2,5-6,12-13,15H2,1H3,(H,23,25)(H,26,27)
InChIKeyMADUIELAVWVYLW-UHFFFAOYSA-N
XLogP3.80
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)ethylamino]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

Related Compounds

4-[2-[1-[2-(azonan-1-yl)phenyl]ethylamino]-2-oxoethyl]benzoic acid
CID 10501610
4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)ethylamino]ethyl]benzoyl chloride
CID 88722000
4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)ethylamino]ethyl]benzamide
CID 54161332
2-methyl-2-[4-[2-oxo-2-[[(1S)-1-(2-piperidin-1-ylphenyl)ethyl]amino]ethyl]phenoxy]propanoic acid
CID 58625212
ethyl 4-[2-[1-[2-(azepan-1-yl)phenyl]ethylamino]-2-oxoethyl]benzoate
CID 10549439
N-[1-(2-piperidin-1-ylphenyl)ethyl]-2-(4-sulfamoylphenyl)acetamide
CID 10621090
2-(4-hydroxyphenyl)-N-[(1S)-1-(2-morpholin-4-ylphenyl)ethyl]acetamide
CID 97225853
ethyl 4-[2-oxo-2-[1-(5-phenylmethoxy-2-piperidin-1-ylphenyl)ethylamino]ethyl]benzoate
CID 70418244
4-[2-[[cyclohexyl-(2-piperidin-1-ylphenyl)methyl]amino]-2-oxoethyl]benzoic acid
CID 10812749
4-[2-[[(4-methoxyphenyl)-(2-piperidin-1-ylphenyl)methyl]amino]-2-oxoethyl]benzoic acid
CID 13281042
2-[4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)butylamino]ethyl]phenyl]acetic acid
CID 54544553
methyl 4-[2-[1-[2-(azonan-1-yl)-5-chlorophenyl]ethylamino]-2-oxoethyl]benzoate
CID 11798080

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)ethylamino]ethyl]benzoic acid?
The IUPAC name of 3-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)ethylamino]ethyl]benzoic acid (CID 10595062) is 3-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)ethylamino]ethyl]benzoic acid.
What is the SMILES notation for 3-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)ethylamino]ethyl]benzoic acid?
The canonical SMILES for 3-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)ethylamino]ethyl]benzoic acid is CC(NC(=O)Cc1cccc(C(=O)O)c1)c1ccccc1N1CCCCC1.
What is the InChIKey of 3-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)ethylamino]ethyl]benzoic acid?
The InChIKey is MADUIELAVWVYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-16(19-10-3-4-11-20(19)24-12-5-2-6-13-24)23-21(25)15-17-8-7-9-18(14-17)22(26)27/h3-4,7-11,14,16H,2,5-6,12-13,15H2,1H3,(H,23,25)(H,26,27).
What are the key properties of 3-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)ethylamino]ethyl]benzoic acid?
3-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)ethylamino]ethyl]benzoic acid has a molecular weight of 366.46 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)ethylamino]ethyl]benzoic acid is sourced from PubChem (CID 10595062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).