3-bromo-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]benzoic acid

C15H19BrN2O3 — CID 63113608

IUPAC3-bromo-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]benzoic acid
SMILESCC1CCN(C(=O)Nc2c(Br)cccc2C(=O)O)C(C)C1
InChIInChI=1S/C15H19BrN2O3/c1-9-6-7-18(10(2)8-9)15(21)17-13-11(14(19)20)4-3-5-12(13)16/h3-5,9-10H,6-8H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyDZILXEBZLLVFCD-UHFFFAOYSA-N
MW355.23 g/mol
LogP3.80
Rot. Bonds2

About 3-bromo-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]benzoic acid

3-bromo-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]benzoic acid (PubChem CID 63113608) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 3-bromo-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name3-bromo-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]benzoic acid
PubChem CID63113608
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name3-bromo-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]benzoic acid
SMILESCC1CCN(C(=O)Nc2c(Br)cccc2C(=O)O)C(C)C1
InChIInChI=1S/C15H19BrN2O3/c1-9-6-7-18(10(2)8-9)15(21)17-13-11(14(19)20)4-3-5-12(13)16/h3-5,9-10H,6-8H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyDZILXEBZLLVFCD-UHFFFAOYSA-N
XLogP3.80
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-bromo-2-[(2,4-dimethylpiperidine-1-carbonyl)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

2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid
CID 62331471
1-[(2,6-dibromophenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 107601848
3-[(2,4-dimethylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid
CID 62947768
1-[(2-bromo-6-fluorophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 107601975
3-bromo-2-[(2-methylcyclopropyl)carbamoylamino]benzoic acid
CID 63113628
3-bromo-2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]benzoic acid
CID 104959743
2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-5-iodobenzoic acid
CID 63111965
3-bromo-2-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)benzoic acid
CID 66372267
2-[3-[(2,4-dimethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65350132
3-fluoro-2-[(2-methylazepane-1-carbonyl)amino]benzoic acid
CID 81499089
3,5-dibromo-2-[(2-methylpyrrolidine-1-carbonyl)amino]benzoic acid
CID 63112365
3-bromo-2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]benzoic acid
CID 63219117

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]benzoic acid?
The IUPAC name of 3-bromo-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]benzoic acid (CID 63113608) is 3-bromo-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]benzoic acid.
What is the SMILES notation for 3-bromo-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]benzoic acid?
The canonical SMILES for 3-bromo-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]benzoic acid is CC1CCN(C(=O)Nc2c(Br)cccc2C(=O)O)C(C)C1.
What is the InChIKey of 3-bromo-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]benzoic acid?
The InChIKey is DZILXEBZLLVFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-9-6-7-18(10(2)8-9)15(21)17-13-11(14(19)20)4-3-5-12(13)16/h3-5,9-10H,6-8H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 3-bromo-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]benzoic acid?
3-bromo-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]benzoic acid has a molecular weight of 355.23 g/mol, XLogP of 3.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]benzoic acid is sourced from PubChem (CID 63113608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).