(3S)-N-(2,4,6-tribromophenyl)piperidine-3-carboxamide

C12H13Br3N2O — CID 28992192

IUPAC(3S)-N-(2,4,6-tribromophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1c(Br)cc(Br)cc1Br)[C@H]1CCCNC1
InChIInChI=1S/C12H13Br3N2O/c13-8-4-9(14)11(10(15)5-8)17-12(18)7-2-1-3-16-6-7/h4-5,7,16H,1-3,6H2,(H,17,18)/t7-/m0/s1
InChIKeyYYHCCDVOZCOPDU-ZETCQYMHSA-N
MW440.96 g/mol
LogP3.91
Rot. Bonds2

About (3S)-N-(2,4,6-tribromophenyl)piperidine-3-carboxamide

(3S)-N-(2,4,6-tribromophenyl)piperidine-3-carboxamide (PubChem CID 28992192) has the molecular formula C12H13Br3N2O and a molecular weight of 440.96 g/mol. Its IUPAC name is (3S)-N-(2,4,6-tribromophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2,4,6-tribromophenyl)piperidine-3-carboxamide
PubChem CID28992192
Molecular FormulaC12H13Br3N2O
Molecular Weight440.96 g/mol
Exact Mass437.86
IUPAC Name(3S)-N-(2,4,6-tribromophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1c(Br)cc(Br)cc1Br)[C@H]1CCCNC1
InChIInChI=1S/C12H13Br3N2O/c13-8-4-9(14)11(10(15)5-8)17-12(18)7-2-1-3-16-6-7/h4-5,7,16H,1-3,6H2,(H,17,18)/t7-/m0/s1
InChIKeyYYHCCDVOZCOPDU-ZETCQYMHSA-N
XLogP3.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.96
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-(4-bromo-2,6-dimethylphenyl)piperidine-3-carboxamide
CID 28562759
(3R)-N-(2,5-dibromophenyl)piperidine-3-carboxamide
CID 81124356
(3S)-N-(5-bromo-2-hydroxyphenyl)piperidine-3-carboxamide
CID 81135195
3-[(2,4,6-tribromophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63788349
N-(4-bromo-2-chlorophenyl)piperidine-3-carboxamide
CID 43347399
N-(2-bromo-4-chlorophenyl)piperidine-3-carboxamide
CID 81263705
5-bromo-2-[[(3S)-piperidine-3-carbonyl]amino]benzoic acid
CID 81141287
N-(3-bromo-4-fluorophenyl)piperidine-3-carboxamide;hydrochloride
CID 119281108
(3R)-N-(4,6-dichloropyrimidin-5-yl)piperidine-3-carboxamide
CID 114074295
(3S)-N-(2-bromo-5-chloro-4-methylphenyl)piperidine-3-carboxamide
CID 104723644
(3R)-N-[4-bromo-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 81123334
(3R)-N-(2-bromo-4-sulfamoylphenyl)piperidine-3-carboxamide
CID 81125256

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2,4,6-tribromophenyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(2,4,6-tribromophenyl)piperidine-3-carboxamide (CID 28992192) is (3S)-N-(2,4,6-tribromophenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2,4,6-tribromophenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2,4,6-tribromophenyl)piperidine-3-carboxamide is O=C(Nc1c(Br)cc(Br)cc1Br)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-(2,4,6-tribromophenyl)piperidine-3-carboxamide?
The InChIKey is YYHCCDVOZCOPDU-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H13Br3N2O/c13-8-4-9(14)11(10(15)5-8)17-12(18)7-2-1-3-16-6-7/h4-5,7,16H,1-3,6H2,(H,17,18)/t7-/m0/s1.
What are the key properties of (3S)-N-(2,4,6-tribromophenyl)piperidine-3-carboxamide?
(3S)-N-(2,4,6-tribromophenyl)piperidine-3-carboxamide has a molecular weight of 440.96 g/mol, XLogP of 3.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2,4,6-tribromophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 28992192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).