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

C14H19BrN2O — CID 107068466

IUPACN-(2-bromo-3-methylphenyl)-3-methylpiperidine-2-carboxamide
SMILESCc1cccc(NC(=O)C2NCCCC2C)c1Br
InChIInChI=1S/C14H19BrN2O/c1-9-5-3-7-11(12(9)15)17-14(18)13-10(2)6-4-8-16-13/h3,5,7,10,13,16H,4,6,8H2,1-2H3,(H,17,18)
InChIKeyCPRDFSABLLLBJS-UHFFFAOYSA-N
MW311.22 g/mol
LogP3.08
Rot. Bonds2

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

N-(2-bromo-3-methylphenyl)-3-methylpiperidine-2-carboxamide (PubChem CID 107068466) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is N-(2-bromo-3-methylphenyl)-3-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-3-methylphenyl)-3-methylpiperidine-2-carboxamide
PubChem CID107068466
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC NameN-(2-bromo-3-methylphenyl)-3-methylpiperidine-2-carboxamide
SMILESCc1cccc(NC(=O)C2NCCCC2C)c1Br
InChIInChI=1S/C14H19BrN2O/c1-9-5-3-7-11(12(9)15)17-14(18)13-10(2)6-4-8-16-13/h3,5,7,10,13,16H,4,6,8H2,1-2H3,(H,17,18)
InChIKeyCPRDFSABLLLBJS-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-fluoro-2-methylphenyl)-3-methylpiperidine-2-carboxamide
CID 62339106
N-(5-iodo-2-methylphenyl)-3-methylpiperidine-2-carboxamide
CID 114257371
N-(2-bromo-5-fluorophenyl)-3-methylpiperidine-2-carboxamide
CID 107625732
ethyl 2-[(3-methylpiperidine-2-carbonyl)amino]benzoate
CID 107067999
3-methyl-N-(2,4,6-trimethylphenyl)piperidine-2-carboxamide
CID 62340619
3-methyl-N-(8-methylquinolin-5-yl)piperidine-2-carboxamide
CID 107067502
N-(2,6-difluoro-3-methylphenyl)-3-methylpiperidine-2-carboxamide
CID 82819007
N-(5-bromo-3-methyl-2-pyridinyl)-3-methylpiperidine-2-carboxamide
CID 107068531
3-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-2-carboxamide
CID 107067527
methyl 5-methyl-2-[(3-methylpiperidine-2-carbonyl)amino]benzoate
CID 107067304
N-(2,4-dimethyl-5-nitrophenyl)-3-methylpiperidine-2-carboxamide
CID 107068565
N-(3-bromo-4-iodophenyl)-3-methylpiperidine-2-carboxamide
CID 114262076

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-methylphenyl)-3-methylpiperidine-2-carboxamide?
The IUPAC name of N-(2-bromo-3-methylphenyl)-3-methylpiperidine-2-carboxamide (CID 107068466) is N-(2-bromo-3-methylphenyl)-3-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-(2-bromo-3-methylphenyl)-3-methylpiperidine-2-carboxamide?
The canonical SMILES for N-(2-bromo-3-methylphenyl)-3-methylpiperidine-2-carboxamide is Cc1cccc(NC(=O)C2NCCCC2C)c1Br.
What is the InChIKey of N-(2-bromo-3-methylphenyl)-3-methylpiperidine-2-carboxamide?
The InChIKey is CPRDFSABLLLBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-9-5-3-7-11(12(9)15)17-14(18)13-10(2)6-4-8-16-13/h3,5,7,10,13,16H,4,6,8H2,1-2H3,(H,17,18).
What are the key properties of N-(2-bromo-3-methylphenyl)-3-methylpiperidine-2-carboxamide?
N-(2-bromo-3-methylphenyl)-3-methylpiperidine-2-carboxamide has a molecular weight of 311.22 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-methylphenyl)-3-methylpiperidine-2-carboxamide is sourced from PubChem (CID 107068466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).