N-(2-bromo-6-fluorophenyl)-2-methylpiperidine-4-carboxamide

C13H16BrFN2O — CID 107599839

IUPACN-(2-bromo-6-fluorophenyl)-2-methylpiperidine-4-carboxamide
SMILESCC1CC(C(=O)Nc2c(F)cccc2Br)CCN1
InChIInChI=1S/C13H16BrFN2O/c1-8-7-9(5-6-16-8)13(18)17-12-10(14)3-2-4-11(12)15/h2-4,8-9,16H,5-7H2,1H3,(H,17,18)
InChIKeyWSEJOGXMGREBRB-UHFFFAOYSA-N
MW315.19 g/mol
LogP2.91
Rot. Bonds2

About N-(2-bromo-6-fluorophenyl)-2-methylpiperidine-4-carboxamide

N-(2-bromo-6-fluorophenyl)-2-methylpiperidine-4-carboxamide (PubChem CID 107599839) has the molecular formula C13H16BrFN2O and a molecular weight of 315.19 g/mol. Its IUPAC name is N-(2-bromo-6-fluorophenyl)-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-6-fluorophenyl)-2-methylpiperidine-4-carboxamide
PubChem CID107599839
Molecular FormulaC13H16BrFN2O
Molecular Weight315.19 g/mol
Exact Mass314.04
IUPAC NameN-(2-bromo-6-fluorophenyl)-2-methylpiperidine-4-carboxamide
SMILESCC1CC(C(=O)Nc2c(F)cccc2Br)CCN1
InChIInChI=1S/C13H16BrFN2O/c1-8-7-9(5-6-16-8)13(18)17-12-10(14)3-2-4-11(12)15/h2-4,8-9,16H,5-7H2,1H3,(H,17,18)
InChIKeyWSEJOGXMGREBRB-UHFFFAOYSA-N
XLogP2.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-6-fluorophenyl)-4-methylpiperidine-2-carboxamide
CID 107600020
(2S,4S)-N-(3-fluoro-2-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620625
(2S,4S)-N-[2,6-di(propan-2-yl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120616178
(2S,4S)-N-(5-bromo-2-fluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620445
N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide
CID 106738606
N-(2-chloro-4,6-difluorophenyl)-2-methylpiperidine-4-carboxamide
CID 106740543
(1R)-N-(2-bromo-6-fluorophenyl)cyclohex-3-ene-1-carboxamide
CID 97007823
(2S,4S)-N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616444
(2S,4S)-N-(3-acetamidophenyl)-2-methylpiperidine-4-carboxamide
CID 120616198
(2S,4S)-N-(3,5-difluorophenyl)-2-methylpiperidine-4-carboxamide
CID 120619158
(2S,4S)-N-[(2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120617128
(2S,4S)-N-(4-fluoro-3-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620325

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-fluorophenyl)-2-methylpiperidine-4-carboxamide?
The IUPAC name of N-(2-bromo-6-fluorophenyl)-2-methylpiperidine-4-carboxamide (CID 107599839) is N-(2-bromo-6-fluorophenyl)-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-bromo-6-fluorophenyl)-2-methylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-bromo-6-fluorophenyl)-2-methylpiperidine-4-carboxamide is CC1CC(C(=O)Nc2c(F)cccc2Br)CCN1.
What is the InChIKey of N-(2-bromo-6-fluorophenyl)-2-methylpiperidine-4-carboxamide?
The InChIKey is WSEJOGXMGREBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O/c1-8-7-9(5-6-16-8)13(18)17-12-10(14)3-2-4-11(12)15/h2-4,8-9,16H,5-7H2,1H3,(H,17,18).
What are the key properties of N-(2-bromo-6-fluorophenyl)-2-methylpiperidine-4-carboxamide?
N-(2-bromo-6-fluorophenyl)-2-methylpiperidine-4-carboxamide has a molecular weight of 315.19 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-fluorophenyl)-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 107599839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).