4-(4-ethoxycarbonylpiperidin-1-yl)-3-[(2-fluorobenzoyl)amino]benzoic acid

C22H23FN2O5 — CID 53052912

IUPAC4-(4-ethoxycarbonylpiperidin-1-yl)-3-[(2-fluorobenzoyl)amino]benzoic acid
SMILESCCOC(=O)C1CCN(c2ccc(C(=O)O)cc2NC(=O)c2ccccc2F)CC1
InChIInChI=1S/C22H23FN2O5/c1-2-30-22(29)14-9-11-25(12-10-14)19-8-7-15(21(27)28)13-18(19)24-20(26)16-5-3-4-6-17(16)23/h3-8,13-14H,2,9-12H2,1H3,(H,24,26)(H,27,28)
InChIKeyJCCUQJIQSGFLIP-UHFFFAOYSA-N
MW414.43 g/mol
LogP3.56
Rot. Bonds6

About 4-(4-ethoxycarbonylpiperidin-1-yl)-3-[(2-fluorobenzoyl)amino]benzoic acid

4-(4-ethoxycarbonylpiperidin-1-yl)-3-[(2-fluorobenzoyl)amino]benzoic acid (PubChem CID 53052912) has the molecular formula C22H23FN2O5 and a molecular weight of 414.43 g/mol. Its IUPAC name is 4-(4-ethoxycarbonylpiperidin-1-yl)-3-[(2-fluorobenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name4-(4-ethoxycarbonylpiperidin-1-yl)-3-[(2-fluorobenzoyl)amino]benzoic acid
PubChem CID53052912
Molecular FormulaC22H23FN2O5
Molecular Weight414.43 g/mol
Exact Mass414.16
IUPAC Name4-(4-ethoxycarbonylpiperidin-1-yl)-3-[(2-fluorobenzoyl)amino]benzoic acid
SMILESCCOC(=O)C1CCN(c2ccc(C(=O)O)cc2NC(=O)c2ccccc2F)CC1
InChIInChI=1S/C22H23FN2O5/c1-2-30-22(29)14-9-11-25(12-10-14)19-8-7-15(21(27)28)13-18(19)24-20(26)16-5-3-4-6-17(16)23/h3-8,13-14H,2,9-12H2,1H3,(H,24,26)(H,27,28)
InChIKeyJCCUQJIQSGFLIP-UHFFFAOYSA-N
XLogP3.56
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(4-ethoxycarbonylpiperidin-1-yl)-3-[(2-fluorobenzoyl)amino]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-[(3R)-3-ethoxycarbonylpiperidin-1-yl]-3-[(2-fluorobenzoyl)amino]benzoic acid
CID 95064018
3-[(2-chlorobenzoyl)amino]-4-(3-ethoxycarbonylpiperidin-1-yl)benzoic acid
CID 53052820
3-[(2-fluorobenzoyl)amino]-4-morpholin-4-ylbenzoic acid
CID 53052916
4-(4-cyclohexylpiperazin-1-yl)-3-[(2-fluorobenzoyl)amino]benzoic acid
CID 46285283
3-[(4-chlorobenzoyl)amino]-4-[(3R)-3-ethoxycarbonylpiperidin-1-yl]benzoic acid
CID 95064002
ethyl 1-[6-[(2-bromobenzoyl)amino]-1,3-dimethyl-2-oxobenzimidazol-5-yl]piperidine-4-carboxylate
CID 24789848
3-[(2-methylbenzoyl)amino]-4-(4-methylpiperidin-1-yl)benzoic acid;2,2,2-trifluoroacetic acid
CID 146053611
3-[(4-bromobenzoyl)amino]-4-[(3R)-3-ethoxycarbonylpiperidin-1-yl]benzoic acid
CID 95064070
ethyl 1-[(2-fluorobenzoyl)carbamothioyl]piperidine-4-carboxylate
CID 17231059
2-[(5-ethoxycarbonyl-2-morpholin-4-ylphenyl)carbamoyl]benzoic acid
CID 2811007
2-fluoro-N-(5-fluoro-2-piperidin-1-ylphenyl)benzamide
CID 113092591
3-[(2-chlorobenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid
CID 46285198

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxycarbonylpiperidin-1-yl)-3-[(2-fluorobenzoyl)amino]benzoic acid?
The IUPAC name of 4-(4-ethoxycarbonylpiperidin-1-yl)-3-[(2-fluorobenzoyl)amino]benzoic acid (CID 53052912) is 4-(4-ethoxycarbonylpiperidin-1-yl)-3-[(2-fluorobenzoyl)amino]benzoic acid.
What is the SMILES notation for 4-(4-ethoxycarbonylpiperidin-1-yl)-3-[(2-fluorobenzoyl)amino]benzoic acid?
The canonical SMILES for 4-(4-ethoxycarbonylpiperidin-1-yl)-3-[(2-fluorobenzoyl)amino]benzoic acid is CCOC(=O)C1CCN(c2ccc(C(=O)O)cc2NC(=O)c2ccccc2F)CC1.
What is the InChIKey of 4-(4-ethoxycarbonylpiperidin-1-yl)-3-[(2-fluorobenzoyl)amino]benzoic acid?
The InChIKey is JCCUQJIQSGFLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O5/c1-2-30-22(29)14-9-11-25(12-10-14)19-8-7-15(21(27)28)13-18(19)24-20(26)16-5-3-4-6-17(16)23/h3-8,13-14H,2,9-12H2,1H3,(H,24,26)(H,27,28).
What are the key properties of 4-(4-ethoxycarbonylpiperidin-1-yl)-3-[(2-fluorobenzoyl)amino]benzoic acid?
4-(4-ethoxycarbonylpiperidin-1-yl)-3-[(2-fluorobenzoyl)amino]benzoic acid has a molecular weight of 414.43 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxycarbonylpiperidin-1-yl)-3-[(2-fluorobenzoyl)amino]benzoic acid is sourced from PubChem (CID 53052912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).