(2S,4S)-N-(5-bromo-2-fluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride

C13H17BrClFN2O — CID 120620445

IUPAC(2S,4S)-N-(5-bromo-2-fluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)Nc2cc(Br)ccc2F)CCN1.Cl
InChIInChI=1S/C13H16BrFN2O.ClH/c1-8-6-9(4-5-16-8)13(18)17-12-7-10(14)2-3-11(12)15;/h2-3,7-9,16H,4-6H2,1H3,(H,17,18);1H/t8-,9-;/m0./s1
InChIKeyUQZHOGLXSYIVHY-OZZZDHQUSA-N
MW351.65 g/mol
LogP3.34
Rot. Bonds2

About (2S,4S)-N-(5-bromo-2-fluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-(5-bromo-2-fluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120620445) has the molecular formula C13H17BrClFN2O and a molecular weight of 351.65 g/mol. Its IUPAC name is (2S,4S)-N-(5-bromo-2-fluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-(5-bromo-2-fluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120620445
Molecular FormulaC13H17BrClFN2O
Molecular Weight351.65 g/mol
Exact Mass350.02
IUPAC Name(2S,4S)-N-(5-bromo-2-fluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)Nc2cc(Br)ccc2F)CCN1.Cl
InChIInChI=1S/C13H16BrFN2O.ClH/c1-8-6-9(4-5-16-8)13(18)17-12-7-10(14)2-3-11(12)15;/h2-3,7-9,16H,4-6H2,1H3,(H,17,18);1H/t8-,9-;/m0./s1
InChIKeyUQZHOGLXSYIVHY-OZZZDHQUSA-N
XLogP3.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.65
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4S)-N-(5-bromo-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120623124
N-[5-bromo-2-(dimethylamino)phenyl]-2-methylpiperidine-4-carboxamide
CID 106739102
N-(4-bromo-2-ethylphenyl)-2-methylpiperidine-4-carboxamide
CID 106740388
(2S,4S)-N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616444
(2S,4S)-N-(5-bromo-2-morpholin-4-ylphenyl)-2-methylpiperidine-4-carboxamide;dihydrochloride
CID 120640206
(2S,4S)-N-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631536
(2S,4S)-N-(3-fluoro-2-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620625
N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide
CID 106738606
(2S,4S)-N-(4-fluoro-3-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620325
N-(2-bromo-6-fluorophenyl)-2-methylpiperidine-4-carboxamide
CID 107599839
(2S,4S)-N-(2-hydroxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631829
(2S,4S)-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120629529

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-(5-bromo-2-fluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-(5-bromo-2-fluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120620445) is (2S,4S)-N-(5-bromo-2-fluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-(5-bromo-2-fluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-(5-bromo-2-fluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride is C[C@H]1C[C@@H](C(=O)Nc2cc(Br)ccc2F)CCN1.Cl.
What is the InChIKey of (2S,4S)-N-(5-bromo-2-fluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is UQZHOGLXSYIVHY-OZZZDHQUSA-N. The full InChI is InChI=1S/C13H16BrFN2O.ClH/c1-8-6-9(4-5-16-8)13(18)17-12-7-10(14)2-3-11(12)15;/h2-3,7-9,16H,4-6H2,1H3,(H,17,18);1H/t8-,9-;/m0./s1.
What are the key properties of (2S,4S)-N-(5-bromo-2-fluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-(5-bromo-2-fluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 351.65 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-(5-bromo-2-fluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120620445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).