4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoic acid

C21H24N2O3 — CID 46772046

IUPAC4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoic acid
SMILESCC1CCN(Cc2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cc2)CC1
InChIInChI=1S/C21H24N2O3/c1-15-10-12-23(13-11-15)14-16-2-4-17(5-3-16)20(24)22-19-8-6-18(7-9-19)21(25)26/h2-9,15H,10-14H2,1H3,(H,22,24)(H,25,26)
InChIKeyWAIOFDKRNAEPQN-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.87
Rot. Bonds5

About 4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoic acid

4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoic acid (PubChem CID 46772046) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoic acid
PubChem CID46772046
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoic acid
SMILESCC1CCN(Cc2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cc2)CC1
InChIInChI=1S/C21H24N2O3/c1-15-10-12-23(13-11-15)14-16-2-4-17(5-3-16)20(24)22-19-8-6-18(7-9-19)21(25)26/h2-9,15H,10-14H2,1H3,(H,22,24)(H,25,26)
InChIKeyWAIOFDKRNAEPQN-UHFFFAOYSA-N
XLogP3.87
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide
CID 108760627
N-(4-bromophenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43919557
N-(4-butylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 30388448
ethyl 4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoate
CID 92678317
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-4-(2-methylpropoxy)benzamide
CID 108737738
N-[4-(1-adamantyl)phenyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 38106623
dimethyl 5-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzene-1,3-dicarboxylate
CID 92676048
3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzamide
CID 53283593
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 92671720
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 99949801
N-benzyl-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43918767
N-[(2R)-3-methylbutan-2-yl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 100568254

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoic acid?
The IUPAC name of 4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoic acid (CID 46772046) is 4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoic acid.
What is the SMILES notation for 4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoic acid?
The canonical SMILES for 4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoic acid is CC1CCN(Cc2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cc2)CC1.
What is the InChIKey of 4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoic acid?
The InChIKey is WAIOFDKRNAEPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15-10-12-23(13-11-15)14-16-2-4-17(5-3-16)20(24)22-19-8-6-18(7-9-19)21(25)26/h2-9,15H,10-14H2,1H3,(H,22,24)(H,25,26).
What are the key properties of 4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoic acid?
4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoic acid has a molecular weight of 352.43 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoic acid is sourced from PubChem (CID 46772046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).