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

C15H19BrN2O3 — CID 115296961

IUPAC2-bromo-5-[(2,5-dimethylpiperidine-1-carbonyl)amino]benzoic acid
SMILESCC1CCC(C)N(C(=O)Nc2ccc(Br)c(C(=O)O)c2)C1
InChIInChI=1S/C15H19BrN2O3/c1-9-3-4-10(2)18(8-9)15(21)17-11-5-6-13(16)12(7-11)14(19)20/h5-7,9-10H,3-4,8H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyYLZCDDFEWQFRJR-UHFFFAOYSA-N
MW355.23 g/mol
LogP3.80
Rot. Bonds2

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

2-bromo-5-[(2,5-dimethylpiperidine-1-carbonyl)amino]benzoic acid (PubChem CID 115296961) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 2-bromo-5-[(2,5-dimethylpiperidine-1-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-bromo-5-[(2,5-dimethylpiperidine-1-carbonyl)amino]benzoic acid
PubChem CID115296961
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name2-bromo-5-[(2,5-dimethylpiperidine-1-carbonyl)amino]benzoic acid
SMILESCC1CCC(C)N(C(=O)Nc2ccc(Br)c(C(=O)O)c2)C1
InChIInChI=1S/C15H19BrN2O3/c1-9-3-4-10(2)18(8-9)15(21)17-11-5-6-13(16)12(7-11)14(19)20/h5-7,9-10H,3-4,8H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyYLZCDDFEWQFRJR-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

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Related Compounds

2-bromo-5-[(2-methylpyrrolidine-1-carbonyl)amino]benzoic acid
CID 113281211
4-bromo-3-[(2,5-dimethylpiperidine-1-carbonyl)amino]benzoic acid
CID 107814220
(2R)-2,5-dimethyl-N-(4-methylphenyl)piperidine-1-carboxamide
CID 143234820
2-methyl-5-[(3-methylpiperidine-1-carbonyl)amino]benzoic acid
CID 63652481
5-(azocane-1-carbonylamino)-2-bromobenzoic acid
CID 115296680
2-bromo-5-(piperidine-1-carbonylamino)benzoic acid
CID 115295940
(2S)-N-(4-bromo-3-methylphenyl)-2-methylpiperidine-1-carboxamide
CID 51944453
2-bromo-5-[(3-methylcyclopentyl)methylcarbamoylamino]benzoic acid
CID 107414553
(2-bromo-5-sulfanylphenyl)-(2,5-dimethylpiperidin-1-yl)methanone
CID 107031486
2-bromo-5-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]benzoic acid
CID 115296951
2-bromo-5-(cyclobutanecarbonylamino)benzoic acid
CID 115295680
5-[(3,5-dimethylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid
CID 63654758

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(2,5-dimethylpiperidine-1-carbonyl)amino]benzoic acid?
The IUPAC name of 2-bromo-5-[(2,5-dimethylpiperidine-1-carbonyl)amino]benzoic acid (CID 115296961) is 2-bromo-5-[(2,5-dimethylpiperidine-1-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-bromo-5-[(2,5-dimethylpiperidine-1-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-bromo-5-[(2,5-dimethylpiperidine-1-carbonyl)amino]benzoic acid is CC1CCC(C)N(C(=O)Nc2ccc(Br)c(C(=O)O)c2)C1.
What is the InChIKey of 2-bromo-5-[(2,5-dimethylpiperidine-1-carbonyl)amino]benzoic acid?
The InChIKey is YLZCDDFEWQFRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-9-3-4-10(2)18(8-9)15(21)17-11-5-6-13(16)12(7-11)14(19)20/h5-7,9-10H,3-4,8H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 2-bromo-5-[(2,5-dimethylpiperidine-1-carbonyl)amino]benzoic acid?
2-bromo-5-[(2,5-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 2-bromo-5-[(2,5-dimethylpiperidine-1-carbonyl)amino]benzoic acid is sourced from PubChem (CID 115296961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).