4-[2-[(5-chloro-2-piperidin-1-ylbenzoyl)amino]ethyl]benzoic acid

C21H23ClN2O3 — CID 10786419

IUPAC4-[2-[(5-chloro-2-piperidin-1-ylbenzoyl)amino]ethyl]benzoic acid
SMILESO=C(O)c1ccc(CCNC(=O)c2cc(Cl)ccc2N2CCCCC2)cc1
InChIInChI=1S/C21H23ClN2O3/c22-17-8-9-19(24-12-2-1-3-13-24)18(14-17)20(25)23-11-10-15-4-6-16(7-5-15)21(26)27/h4-9,14H,1-3,10-13H2,(H,23,25)(H,26,27)
InChIKeyGTRVUSALGJUXCA-UHFFFAOYSA-N
MW386.88 g/mol
LogP4.00
Rot. Bonds6

About 4-[2-[(5-chloro-2-piperidin-1-ylbenzoyl)amino]ethyl]benzoic acid

4-[2-[(5-chloro-2-piperidin-1-ylbenzoyl)amino]ethyl]benzoic acid (PubChem CID 10786419) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is 4-[2-[(5-chloro-2-piperidin-1-ylbenzoyl)amino]ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[(5-chloro-2-piperidin-1-ylbenzoyl)amino]ethyl]benzoic acid
PubChem CID10786419
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC Name4-[2-[(5-chloro-2-piperidin-1-ylbenzoyl)amino]ethyl]benzoic acid
SMILESO=C(O)c1ccc(CCNC(=O)c2cc(Cl)ccc2N2CCCCC2)cc1
InChIInChI=1S/C21H23ClN2O3/c22-17-8-9-19(24-12-2-1-3-13-24)18(14-17)20(25)23-11-10-15-4-6-16(7-5-15)21(26)27/h4-9,14H,1-3,10-13H2,(H,23,25)(H,26,27)
InChIKeyGTRVUSALGJUXCA-UHFFFAOYSA-N
XLogP4.00
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Amylcinnamoyl)amino-4-chlorobenzoic acid
CID 6438389
4-[(2s,4r)-1-Acetyl-4-[(4-Chlorophenyl)amino]-2-Methyl-1,2,3,4-Tetrahydroquinolin-6-Yl]benzoic Acid
CID 52912222
2-((4-Chlorobenzyl)amino)benzoic acid
CID 3538522
N-[(2-Chlorobiphenyl-4-Yl)methyl]-Beta-Alanyl-N-(3-Carboxyphenyl)-Beta-Alaninamide
CID 121232389
(S)-4-(1-(1-(3-chlorobenzyl)indoline-7-carboxamido)ethyl)benzoic acid
CID 23634376
(S)-4-(1-(1-(4-chlorobenzyl)indoline-7-carboxamido)ethyl)benzoic acid
CID 23661014
(S)-4-(1-(1-(3,4-dichlorobenzyl)indoline-7-carboxamido)ethyl)benzoic acid
CID 23661189
2-({3-[(3-Chlorobenzoyl)amino]benzoyl}amino)benzoic acid
CID 1217038
3-Chloro-4-(4-Methyl-2-Oxo-1,2-Dihydroquinolin-7-Yl)benzoic Acid
CID 71576804
(S)-4-(1-(5-chloro-1-(4-(trifluoromethyl)benzyl)indoline-7-carboxamido)ethyl)benzoic acid
CID 53325182
2-[3-[4-(3-Chlorophenyl)phenyl]propanoylamino]benzoic acid
CID 122181102
1-(2-Aminobenzoyl)-4-(4-chlorophenyl)-4-piperidinol
CID 851820

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-chloro-2-piperidin-1-ylbenzoyl)amino]ethyl]benzoic acid?
The IUPAC name of 4-[2-[(5-chloro-2-piperidin-1-ylbenzoyl)amino]ethyl]benzoic acid (CID 10786419) is 4-[2-[(5-chloro-2-piperidin-1-ylbenzoyl)amino]ethyl]benzoic acid.
What is the SMILES notation for 4-[2-[(5-chloro-2-piperidin-1-ylbenzoyl)amino]ethyl]benzoic acid?
The canonical SMILES for 4-[2-[(5-chloro-2-piperidin-1-ylbenzoyl)amino]ethyl]benzoic acid is O=C(O)c1ccc(CCNC(=O)c2cc(Cl)ccc2N2CCCCC2)cc1.
What is the InChIKey of 4-[2-[(5-chloro-2-piperidin-1-ylbenzoyl)amino]ethyl]benzoic acid?
The InChIKey is GTRVUSALGJUXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c22-17-8-9-19(24-12-2-1-3-13-24)18(14-17)20(25)23-11-10-15-4-6-16(7-5-15)21(26)27/h4-9,14H,1-3,10-13H2,(H,23,25)(H,26,27).
What are the key properties of 4-[2-[(5-chloro-2-piperidin-1-ylbenzoyl)amino]ethyl]benzoic acid?
4-[2-[(5-chloro-2-piperidin-1-ylbenzoyl)amino]ethyl]benzoic acid has a molecular weight of 386.88 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-chloro-2-piperidin-1-ylbenzoyl)amino]ethyl]benzoic acid is sourced from PubChem (CID 10786419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).