(3R)-1-[(2,4,6-tribromophenyl)carbamoyl]piperidine-3-carboxylic acid

C13H13Br3N2O3 — CID 81127096

IUPAC(3R)-1-[(2,4,6-tribromophenyl)carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)Nc2c(Br)cc(Br)cc2Br)C1
InChIInChI=1S/C13H13Br3N2O3/c14-8-4-9(15)11(10(16)5-8)17-13(21)18-3-1-2-7(6-18)12(19)20/h4-5,7H,1-3,6H2,(H,17,21)(H,19,20)/t7-/m1/s1
InChIKeyMZIPVGSFXXVUPM-SSDOTTSWSA-N
MW484.97 g/mol
LogP4.30
Rot. Bonds2

About (3R)-1-[(2,4,6-tribromophenyl)carbamoyl]piperidine-3-carboxylic acid

(3R)-1-[(2,4,6-tribromophenyl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 81127096) has the molecular formula C13H13Br3N2O3 and a molecular weight of 484.97 g/mol. Its IUPAC name is (3R)-1-[(2,4,6-tribromophenyl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[(2,4,6-tribromophenyl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID81127096
Molecular FormulaC13H13Br3N2O3
Molecular Weight484.97 g/mol
Exact Mass481.85
IUPAC Name(3R)-1-[(2,4,6-tribromophenyl)carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)Nc2c(Br)cc(Br)cc2Br)C1
InChIInChI=1S/C13H13Br3N2O3/c14-8-4-9(15)11(10(16)5-8)17-13(21)18-3-1-2-7(6-18)12(19)20/h4-5,7H,1-3,6H2,(H,17,21)(H,19,20)/t7-/m1/s1
InChIKeyMZIPVGSFXXVUPM-SSDOTTSWSA-N
XLogP4.30
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.97
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[(2,6-dibromo-4-methylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120967
1-[(4-bromo-2,6-dimethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318320
1-[(2-bromo-4,6-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43347865
1-[(2,5-dibromophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 61468314
1-[(2-bromo-6-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 107601918
(3S)-1-[(2,4,6-trifluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81119479
1-[(4-bromo-2,6-dimethylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030508
1-[(3-bromo-5-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 82860741
1-[(2-bromo-4-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318584
(3S)-1-[(3,5-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81125485
(3R)-1-[(3,5-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120122
N-(4-amino-2,6-dibromophenyl)azepane-1-carboxamide
CID 79151818

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2,4,6-tribromophenyl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[(2,4,6-tribromophenyl)carbamoyl]piperidine-3-carboxylic acid (CID 81127096) is (3R)-1-[(2,4,6-tribromophenyl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[(2,4,6-tribromophenyl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[(2,4,6-tribromophenyl)carbamoyl]piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(C(=O)Nc2c(Br)cc(Br)cc2Br)C1.
What is the InChIKey of (3R)-1-[(2,4,6-tribromophenyl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is MZIPVGSFXXVUPM-SSDOTTSWSA-N. The full InChI is InChI=1S/C13H13Br3N2O3/c14-8-4-9(15)11(10(16)5-8)17-13(21)18-3-1-2-7(6-18)12(19)20/h4-5,7H,1-3,6H2,(H,17,21)(H,19,20)/t7-/m1/s1.
What are the key properties of (3R)-1-[(2,4,6-tribromophenyl)carbamoyl]piperidine-3-carboxylic acid?
(3R)-1-[(2,4,6-tribromophenyl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 484.97 g/mol, XLogP of 4.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2,4,6-tribromophenyl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81127096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).