N-(2-bromo-4-methylphenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide

C19H27BrN2O2 — CID 113008292

IUPACN-(2-bromo-4-methylphenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide
SMILESCCC(CC)C(=O)N1CCC(C(=O)Nc2ccc(C)cc2Br)CC1
InChIInChI=1S/C19H27BrN2O2/c1-4-14(5-2)19(24)22-10-8-15(9-11-22)18(23)21-17-7-6-13(3)12-16(17)20/h6-7,12,14-15H,4-5,8-11H2,1-3H3,(H,21,23)
InChIKeyNVCCMXOZVKWIEV-UHFFFAOYSA-N
MW395.34 g/mol
LogP4.37
Rot. Bonds5

About N-(2-bromo-4-methylphenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide

N-(2-bromo-4-methylphenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide (PubChem CID 113008292) has the molecular formula C19H27BrN2O2 and a molecular weight of 395.34 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide
PubChem CID113008292
Molecular FormulaC19H27BrN2O2
Molecular Weight395.34 g/mol
Exact Mass394.13
IUPAC NameN-(2-bromo-4-methylphenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide
SMILESCCC(CC)C(=O)N1CCC(C(=O)Nc2ccc(C)cc2Br)CC1
InChIInChI=1S/C19H27BrN2O2/c1-4-14(5-2)19(24)22-10-8-15(9-11-22)18(23)21-17-7-6-13(3)12-16(17)20/h6-7,12,14-15H,4-5,8-11H2,1-3H3,(H,21,23)
InChIKeyNVCCMXOZVKWIEV-UHFFFAOYSA-N
XLogP4.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.34
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-[(2-bromo-4-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 113008293
N-(2-bromo-4-methylphenyl)cyclohexanecarboxamide
CID 3728666
N-(3-chloro-2-methylphenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide
CID 113007215
N-(2-bromo-4-methylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 108805686
N-(2-chloro-4-methylphenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31775816
N-(3,4-difluorophenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide
CID 113008986
1-N-(2-bromo-4-methylphenyl)-4-N-tert-butylcyclohexane-1,4-dicarboxamide
CID 109149632
1-[2-(2-bromo-4-methylanilino)acetyl]piperidine-4-carboxylic acid
CID 103231678
1-(2-ethylbutanoyl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 113007804
ethyl 4-[[1-(2-ethylbutanoyl)piperidine-4-carbonyl]amino]benzoate
CID 113008394
N-(2,4-dibromophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 55528235
N-(2,4-dimethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027084

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide (CID 113008292) is N-(2-bromo-4-methylphenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide is CCC(CC)C(=O)N1CCC(C(=O)Nc2ccc(C)cc2Br)CC1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide?
The InChIKey is NVCCMXOZVKWIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27BrN2O2/c1-4-14(5-2)19(24)22-10-8-15(9-11-22)18(23)21-17-7-6-13(3)12-16(17)20/h6-7,12,14-15H,4-5,8-11H2,1-3H3,(H,21,23).
What are the key properties of N-(2-bromo-4-methylphenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide?
N-(2-bromo-4-methylphenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide has a molecular weight of 395.34 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 113008292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).