5-[(2-methylbenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzoic acid

C21H24N2O3 — CID 50807328

IUPAC5-[(2-methylbenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzoic acid
SMILESCc1ccccc1C(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)O)c1
InChIInChI=1S/C21H24N2O3/c1-14-9-11-23(12-10-14)19-8-7-16(13-18(19)21(25)26)22-20(24)17-6-4-3-5-15(17)2/h3-8,13-14H,9-12H2,1-2H3,(H,22,24)(H,25,26)
InChIKeyKELCLYFNMZTKAI-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.18
Rot. Bonds4

About 5-[(2-methylbenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzoic acid

5-[(2-methylbenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzoic acid (PubChem CID 50807328) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 5-[(2-methylbenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzoic acid.

Molecular Properties

Compound Name5-[(2-methylbenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzoic acid
PubChem CID50807328
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name5-[(2-methylbenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzoic acid
SMILESCc1ccccc1C(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)O)c1
InChIInChI=1S/C21H24N2O3/c1-14-9-11-23(12-10-14)19-8-7-16(13-18(19)21(25)26)22-20(24)17-6-4-3-5-15(17)2/h3-8,13-14H,9-12H2,1-2H3,(H,22,24)(H,25,26)
InChIKeyKELCLYFNMZTKAI-UHFFFAOYSA-N
XLogP4.18
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-[(2-methylbenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzoic acid;2,2,2-trifluoroacetic acid
CID 146060507
2-methyl-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 1066450
5-[(2-methylbenzoyl)amino]-2-(3-methylpiperidin-1-yl)benzoic acid
CID 50807443
5-[(2-methylbenzoyl)amino]-2-morpholin-4-ylbenzoic acid
CID 50807484
5-[(2-methylbenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 3283955
5-[(4-bromobenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzoic acid
CID 50807368
N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 1066436
2-(4-benzylpiperidin-1-yl)-5-[(2-methylbenzoyl)amino]-N-propan-2-ylbenzamide
CID 3408766
3-[(2-methylbenzoyl)amino]-4-(4-methylpiperidin-1-yl)benzoic acid;2,2,2-trifluoroacetic acid
CID 146053611
5-[(2-fluorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide
CID 1063277
2-methoxy-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 1066472
2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(2-methylbenzoyl)amino]benzoic acid
CID 50807438

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylbenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzoic acid?
The IUPAC name of 5-[(2-methylbenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzoic acid (CID 50807328) is 5-[(2-methylbenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzoic acid.
What is the SMILES notation for 5-[(2-methylbenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzoic acid?
The canonical SMILES for 5-[(2-methylbenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzoic acid is Cc1ccccc1C(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)O)c1.
What is the InChIKey of 5-[(2-methylbenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzoic acid?
The InChIKey is KELCLYFNMZTKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-14-9-11-23(12-10-14)19-8-7-16(13-18(19)21(25)26)22-20(24)17-6-4-3-5-15(17)2/h3-8,13-14H,9-12H2,1-2H3,(H,22,24)(H,25,26).
What are the key properties of 5-[(2-methylbenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzoic acid?
5-[(2-methylbenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzoic acid has a molecular weight of 352.43 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylbenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzoic acid is sourced from PubChem (CID 50807328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).