1-(2,4-dibromobenzoyl)-3-methylpiperidine-2-carboxylic acid

C14H15Br2NO3 — CID 107938402

IUPAC1-(2,4-dibromobenzoyl)-3-methylpiperidine-2-carboxylic acid
SMILESCC1CCCN(C(=O)c2ccc(Br)cc2Br)C1C(=O)O
InChIInChI=1S/C14H15Br2NO3/c1-8-3-2-6-17(12(8)14(19)20)13(18)10-5-4-9(15)7-11(10)16/h4-5,7-8,12H,2-3,6H2,1H3,(H,19,20)
InChIKeyMNDDAKMZHSEFBJ-UHFFFAOYSA-N
MW405.09 g/mol
LogP3.54
Rot. Bonds2

About 1-(2,4-dibromobenzoyl)-3-methylpiperidine-2-carboxylic acid

1-(2,4-dibromobenzoyl)-3-methylpiperidine-2-carboxylic acid (PubChem CID 107938402) has the molecular formula C14H15Br2NO3 and a molecular weight of 405.09 g/mol. Its IUPAC name is 1-(2,4-dibromobenzoyl)-3-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,4-dibromobenzoyl)-3-methylpiperidine-2-carboxylic acid
PubChem CID107938402
Molecular FormulaC14H15Br2NO3
Molecular Weight405.09 g/mol
Exact Mass402.94
IUPAC Name1-(2,4-dibromobenzoyl)-3-methylpiperidine-2-carboxylic acid
SMILESCC1CCCN(C(=O)c2ccc(Br)cc2Br)C1C(=O)O
InChIInChI=1S/C14H15Br2NO3/c1-8-3-2-6-17(12(8)14(19)20)13(18)10-5-4-9(15)7-11(10)16/h4-5,7-8,12H,2-3,6H2,1H3,(H,19,20)
InChIKeyMNDDAKMZHSEFBJ-UHFFFAOYSA-N
XLogP3.54
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.09
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-2-hydroxybenzoyl)-3-methylpiperidine-2-carboxylic acid
CID 107069257
1-(2-chlorobenzoyl)-3-methylpiperidine-2-carboxylic acid
CID 107069786
[2-(chloromethyl)pyrrolidin-1-yl]-(2,4-dibromophenyl)methanone
CID 107941005
1-(3-bromo-5-chlorobenzoyl)-3-methylpiperidine-2-carboxylic acid
CID 107938401
1-[(4-bromophenyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071248
1-(5-bromo-2-carbamoylphenyl)-3-methylpiperidine-2-carboxylic acid
CID 107070367
1-[(5-bromo-2-fluorophenyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071344
1-[(4-bromo-2-chlorophenyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071299
1-(4-bromo-2-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 43629559
1-(2-chloro-4,5-difluorobenzoyl)-3-methylpiperidine-2-carboxylic acid
CID 107069594
1-[2-(3-bromophenyl)acetyl]-3-methylpiperidine-2-carboxylic acid
CID 107069632
(5-bromo-2-methylphenyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 65309438

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromobenzoyl)-3-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(2,4-dibromobenzoyl)-3-methylpiperidine-2-carboxylic acid (CID 107938402) is 1-(2,4-dibromobenzoyl)-3-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2,4-dibromobenzoyl)-3-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(2,4-dibromobenzoyl)-3-methylpiperidine-2-carboxylic acid is CC1CCCN(C(=O)c2ccc(Br)cc2Br)C1C(=O)O.
What is the InChIKey of 1-(2,4-dibromobenzoyl)-3-methylpiperidine-2-carboxylic acid?
The InChIKey is MNDDAKMZHSEFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2NO3/c1-8-3-2-6-17(12(8)14(19)20)13(18)10-5-4-9(15)7-11(10)16/h4-5,7-8,12H,2-3,6H2,1H3,(H,19,20).
What are the key properties of 1-(2,4-dibromobenzoyl)-3-methylpiperidine-2-carboxylic acid?
1-(2,4-dibromobenzoyl)-3-methylpiperidine-2-carboxylic acid has a molecular weight of 405.09 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromobenzoyl)-3-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 107938402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).