N-(2,4-dibromophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide

C17H22Br2N2O2 — CID 55528235

IUPACN-(2,4-dibromophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
SMILESCC(C)(C)C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2Br)CC1
InChIInChI=1S/C17H22Br2N2O2/c1-17(2,3)16(23)21-8-6-11(7-9-21)15(22)20-14-5-4-12(18)10-13(14)19/h4-5,10-11H,6-9H2,1-3H3,(H,20,22)
InChIKeyCWADIAGBVXKNSW-UHFFFAOYSA-N
MW446.18 g/mol
LogP4.43
Rot. Bonds2

About N-(2,4-dibromophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide

N-(2,4-dibromophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide (PubChem CID 55528235) has the molecular formula C17H22Br2N2O2 and a molecular weight of 446.18 g/mol. Its IUPAC name is N-(2,4-dibromophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dibromophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
PubChem CID55528235
Molecular FormulaC17H22Br2N2O2
Molecular Weight446.18 g/mol
Exact Mass444.00
IUPAC NameN-(2,4-dibromophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
SMILESCC(C)(C)C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2Br)CC1
InChIInChI=1S/C17H22Br2N2O2/c1-17(2,3)16(23)21-8-6-11(7-9-21)15(22)20-14-5-4-12(18)10-13(14)19/h4-5,10-11H,6-9H2,1-3H3,(H,20,22)
InChIKeyCWADIAGBVXKNSW-UHFFFAOYSA-N
XLogP4.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.18
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224314
1-(2,2-dimethylpropanoyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 18126290
1-(2,2-dimethylpropanoyl)-N-(2-methylphenyl)piperidine-4-carboxamide
CID 17224372
1-(2,2-dimethylpropanoyl)-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide
CID 17224280
methyl 4-[(2-bromo-4-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 113008293
N-(2,5-dibromophenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55760620
N-(5-chloro-2-methylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224385
N-(4-tert-butylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 27258911
4-N-(4-bromo-2-methylphenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 56922800
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 55776981
1-(2,2-dimethylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 17224335
methyl 4-chloro-3-[[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]amino]benzoate
CID 18155717

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-(2,4-dibromophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide (CID 55528235) is N-(2,4-dibromophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2,4-dibromophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2,4-dibromophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide is CC(C)(C)C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2Br)CC1.
What is the InChIKey of N-(2,4-dibromophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide?
The InChIKey is CWADIAGBVXKNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Br2N2O2/c1-17(2,3)16(23)21-8-6-11(7-9-21)15(22)20-14-5-4-12(18)10-13(14)19/h4-5,10-11H,6-9H2,1-3H3,(H,20,22).
What are the key properties of N-(2,4-dibromophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide?
N-(2,4-dibromophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide has a molecular weight of 446.18 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 55528235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).