N-(4-bromo-3-methylphenyl)-2-methylpiperidine-2-carboxamide

C14H19BrN2O — CID 113368545

IUPACN-(4-bromo-3-methylphenyl)-2-methylpiperidine-2-carboxamide
SMILESCc1cc(NC(=O)C2(C)CCCCN2)ccc1Br
InChIInChI=1S/C14H19BrN2O/c1-10-9-11(5-6-12(10)15)17-13(18)14(2)7-3-4-8-16-14/h5-6,9,16H,3-4,7-8H2,1-2H3,(H,17,18)
InChIKeyUOFADGDXICPXAL-UHFFFAOYSA-N
MW311.22 g/mol
LogP3.23
Rot. Bonds2

About N-(4-bromo-3-methylphenyl)-2-methylpiperidine-2-carboxamide

N-(4-bromo-3-methylphenyl)-2-methylpiperidine-2-carboxamide (PubChem CID 113368545) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-methylpiperidine-2-carboxamide
PubChem CID113368545
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC NameN-(4-bromo-3-methylphenyl)-2-methylpiperidine-2-carboxamide
SMILESCc1cc(NC(=O)C2(C)CCCCN2)ccc1Br
InChIInChI=1S/C14H19BrN2O/c1-10-9-11(5-6-12(10)15)17-13(18)14(2)7-3-4-8-16-14/h5-6,9,16H,3-4,7-8H2,1-2H3,(H,17,18)
InChIKeyUOFADGDXICPXAL-UHFFFAOYSA-N
XLogP3.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-(4-bromo-3-methylphenyl)cyclopentane-1-carboxamide
CID 54925430
N-(2-bromo-4,6-dimethylphenyl)-2-methylpiperidine-2-carboxamide
CID 104597094
N-(4-bromo-3-methylphenyl)-3-ethylpyrrolidine-3-carboxamide
CID 63140591
N-(4-fluoro-3-methoxyphenyl)-2-methylpiperidine-2-carboxamide
CID 114839641
N-(2-bromo-4-chlorophenyl)-2-methylpiperidine-2-carboxamide
CID 113430886
N-(3-cyano-4-fluorophenyl)-2-methylpiperidine-2-carboxamide
CID 104596735
1-amino-N-(4-bromo-3-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119673461
2-methyl-N-(4-methyl-3-pyridinyl)piperidine-2-carboxamide
CID 113368673
N-(5-chloro-2-methylphenyl)-2-methylpiperidine-2-carboxamide
CID 113368554
N-(2,3-dimethylphenyl)-2-methylpiperidine-2-carboxamide
CID 113368535
2-methyl-N-(3-methyl-2-pyridinyl)piperidine-2-carboxamide
CID 104596093
4-bromo-2-[(2-methylpiperidine-2-carbonyl)amino]benzoic acid
CID 104596607

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-methylpiperidine-2-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-methylpiperidine-2-carboxamide (CID 113368545) is N-(4-bromo-3-methylphenyl)-2-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-methylpiperidine-2-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-methylpiperidine-2-carboxamide is Cc1cc(NC(=O)C2(C)CCCCN2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-methylpiperidine-2-carboxamide?
The InChIKey is UOFADGDXICPXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-10-9-11(5-6-12(10)15)17-13(18)14(2)7-3-4-8-16-14/h5-6,9,16H,3-4,7-8H2,1-2H3,(H,17,18).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-methylpiperidine-2-carboxamide?
N-(4-bromo-3-methylphenyl)-2-methylpiperidine-2-carboxamide has a molecular weight of 311.22 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-methylpiperidine-2-carboxamide is sourced from PubChem (CID 113368545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).