5-bromo-2-[(2-methylpiperidine-1-carbonyl)amino]benzoic acid

C14H17BrN2O3 — CID 62074188

IUPAC5-bromo-2-[(2-methylpiperidine-1-carbonyl)amino]benzoic acid
SMILESCC1CCCCN1C(=O)Nc1ccc(Br)cc1C(=O)O
InChIInChI=1S/C14H17BrN2O3/c1-9-4-2-3-7-17(9)14(20)16-12-6-5-10(15)8-11(12)13(18)19/h5-6,8-9H,2-4,7H2,1H3,(H,16,20)(H,18,19)
InChIKeySLTMFFWSIHYKQC-UHFFFAOYSA-N
MW341.21 g/mol
LogP3.55
Rot. Bonds2

About 5-bromo-2-[(2-methylpiperidine-1-carbonyl)amino]benzoic acid

5-bromo-2-[(2-methylpiperidine-1-carbonyl)amino]benzoic acid (PubChem CID 62074188) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.21 g/mol. Its IUPAC name is 5-bromo-2-[(2-methylpiperidine-1-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name5-bromo-2-[(2-methylpiperidine-1-carbonyl)amino]benzoic acid
PubChem CID62074188
Molecular FormulaC14H17BrN2O3
Molecular Weight341.21 g/mol
Exact Mass340.04
IUPAC Name5-bromo-2-[(2-methylpiperidine-1-carbonyl)amino]benzoic acid
SMILESCC1CCCCN1C(=O)Nc1ccc(Br)cc1C(=O)O
InChIInChI=1S/C14H17BrN2O3/c1-9-4-2-3-7-17(9)14(20)16-12-6-5-10(15)8-11(12)13(18)19/h5-6,8-9H,2-4,7H2,1H3,(H,16,20)(H,18,19)
InChIKeySLTMFFWSIHYKQC-UHFFFAOYSA-N
XLogP3.55
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-2-[(2-methylpiperidine-1-carbonyl)amino]benzoic acid
CID 61186602
5-bromo-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]benzoic acid
CID 62074006
5-bromo-2-[(3-methylpyrrolidine-1-carbonyl)amino]benzoic acid
CID 62074012
5-bromo-2-(cyclopentanecarbonylamino)benzoic acid
CID 45434105
(5-bromo-2-methylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 65308017
5-bromo-2-(cycloheptanecarbonylamino)benzoic acid
CID 63405295
3,5-dibromo-2-[(2-methylpyrrolidine-1-carbonyl)amino]benzoic acid
CID 63112365
5-bromo-2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]benzoic acid
CID 83219059
2-bromo-5-[(2-methylpyrrolidine-1-carbonyl)amino]benzoic acid
CID 113281211
2-methyl-N-(2-methylphenyl)piperidine-1-carboxamide
CID 6460442
5-bromo-2-[(4-methylpiperazine-1-carbonyl)amino]benzoic acid
CID 62074359
(2R)-N-(2-fluorophenyl)-2-methylpiperidine-1-carboxamide
CID 40611905

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2-methylpiperidine-1-carbonyl)amino]benzoic acid?
The IUPAC name of 5-bromo-2-[(2-methylpiperidine-1-carbonyl)amino]benzoic acid (CID 62074188) is 5-bromo-2-[(2-methylpiperidine-1-carbonyl)amino]benzoic acid.
What is the SMILES notation for 5-bromo-2-[(2-methylpiperidine-1-carbonyl)amino]benzoic acid?
The canonical SMILES for 5-bromo-2-[(2-methylpiperidine-1-carbonyl)amino]benzoic acid is CC1CCCCN1C(=O)Nc1ccc(Br)cc1C(=O)O.
What is the InChIKey of 5-bromo-2-[(2-methylpiperidine-1-carbonyl)amino]benzoic acid?
The InChIKey is SLTMFFWSIHYKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c1-9-4-2-3-7-17(9)14(20)16-12-6-5-10(15)8-11(12)13(18)19/h5-6,8-9H,2-4,7H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 5-bromo-2-[(2-methylpiperidine-1-carbonyl)amino]benzoic acid?
5-bromo-2-[(2-methylpiperidine-1-carbonyl)amino]benzoic acid has a molecular weight of 341.21 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2-methylpiperidine-1-carbonyl)amino]benzoic acid is sourced from PubChem (CID 62074188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).