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

C14H20BrClN2O2 — CID 120623124

IUPAC(2S,4S)-N-(5-bromo-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCOc1ccc(Br)cc1NC(=O)[C@H]1CCN[C@@H](C)C1.Cl
InChIInChI=1S/C14H19BrN2O2.ClH/c1-9-7-10(5-6-16-9)14(18)17-12-8-11(15)3-4-13(12)19-2;/h3-4,8-10,16H,5-7H2,1-2H3,(H,17,18);1H/t9-,10-;/m0./s1
InChIKeyFEMIATKWYOAFFS-IYPAPVHQSA-N
MW363.68 g/mol
LogP3.21
Rot. Bonds3

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

(2S,4S)-N-(5-bromo-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120623124) has the molecular formula C14H20BrClN2O2 and a molecular weight of 363.68 g/mol. Its IUPAC name is (2S,4S)-N-(5-bromo-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-(5-bromo-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120623124
Molecular FormulaC14H20BrClN2O2
Molecular Weight363.68 g/mol
Exact Mass362.04
IUPAC Name(2S,4S)-N-(5-bromo-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCOc1ccc(Br)cc1NC(=O)[C@H]1CCN[C@@H](C)C1.Cl
InChIInChI=1S/C14H19BrN2O2.ClH/c1-9-7-10(5-6-16-9)14(18)17-12-8-11(15)3-4-13(12)19-2;/h3-4,8-10,16H,5-7H2,1-2H3,(H,17,18);1H/t9-,10-;/m0./s1
InChIKeyFEMIATKWYOAFFS-IYPAPVHQSA-N
XLogP3.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.68
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-methoxyphenyl)piperidine-4-carboxamide
CID 54967697
(2S,4S)-N-(5-acetamido-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide
CID 120617184
(2S,4S)-N-(5-bromo-2-fluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620445
N-(5-bromo-2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 63006028
(2S,4S)-2-methyl-N-(2,3,4-trimethoxyphenyl)piperidine-4-carboxamide
CID 120629024
N-(5-bromo-2-methoxyphenyl)cyclooctanecarboxamide
CID 65018183
N-[5-bromo-2-(dimethylamino)phenyl]-2-methylpiperidine-4-carboxamide
CID 106739102
(2S,4S)-N-(4-benzamido-2,5-dimethoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120617088
(3S)-N-(5-bromo-2-methoxyphenyl)piperidine-3-carboxamide
CID 81140921
N-(4-bromo-2-ethylphenyl)-2-methylpiperidine-4-carboxamide
CID 106740388
(2S,4S)-N-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631536
N-(5-bromo-2-methoxyphenyl)oxolane-3-carboxamide
CID 47494478

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-(5-bromo-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-(5-bromo-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120623124) is (2S,4S)-N-(5-bromo-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-(5-bromo-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-(5-bromo-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride is COc1ccc(Br)cc1NC(=O)[C@H]1CCN[C@@H](C)C1.Cl.
What is the InChIKey of (2S,4S)-N-(5-bromo-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is FEMIATKWYOAFFS-IYPAPVHQSA-N. The full InChI is InChI=1S/C14H19BrN2O2.ClH/c1-9-7-10(5-6-16-9)14(18)17-12-8-11(15)3-4-13(12)19-2;/h3-4,8-10,16H,5-7H2,1-2H3,(H,17,18);1H/t9-,10-;/m0./s1.
What are the key properties of (2S,4S)-N-(5-bromo-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-(5-bromo-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 363.68 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-(5-bromo-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120623124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).