methyl 4-[(2-bromo-4-methylphenyl)carbamoyl]piperidine-1-carboxylate

C15H19BrN2O3 — CID 113008293

IUPACmethyl 4-[(2-bromo-4-methylphenyl)carbamoyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(C(=O)Nc2ccc(C)cc2Br)CC1
InChIInChI=1S/C15H19BrN2O3/c1-10-3-4-13(12(16)9-10)17-14(19)11-5-7-18(8-6-11)15(20)21-2/h3-4,9,11H,5-8H2,1-2H3,(H,17,19)
InChIKeyPUMSXRWGFJFWCN-UHFFFAOYSA-N
MW355.23 g/mol
LogP3.17
Rot. Bonds2

About methyl 4-[(2-bromo-4-methylphenyl)carbamoyl]piperidine-1-carboxylate

methyl 4-[(2-bromo-4-methylphenyl)carbamoyl]piperidine-1-carboxylate (PubChem CID 113008293) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is methyl 4-[(2-bromo-4-methylphenyl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2-bromo-4-methylphenyl)carbamoyl]piperidine-1-carboxylate
PubChem CID113008293
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Namemethyl 4-[(2-bromo-4-methylphenyl)carbamoyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(C(=O)Nc2ccc(C)cc2Br)CC1
InChIInChI=1S/C15H19BrN2O3/c1-10-3-4-13(12(16)9-10)17-14(19)11-5-7-18(8-6-11)15(20)21-2/h3-4,9,11H,5-8H2,1-2H3,(H,17,19)
InChIKeyPUMSXRWGFJFWCN-UHFFFAOYSA-N
XLogP3.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-methylphenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide
CID 113008292
N-(2-bromo-4-methylphenyl)cyclohexanecarboxamide
CID 3728666
tert-butyl 4-[(2-bromo-5-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 166607251
tert-butyl 3-[(2-bromo-4-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 84554272
N-(2-bromo-4-methylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 108805686
1-N-(2-bromo-4-methylphenyl)-4-N-tert-butylcyclohexane-1,4-dicarboxamide
CID 109149632
tert-butyl 4-[(2-methoxy-5-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 29206094
N-(2,4-dibromophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 55528235
ethyl 4-[[2-(2-bromo-4-methylanilino)-2-oxoacetyl]amino]piperidine-1-carboxylate
CID 108531772
methyl 4-[(2,3,4-trifluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 110754252
2,2,2-trifluoroethyl 4-[(2,4-dimethylphenyl)carbamoyl]piperidine-1-carboxylate
CID 32812975
N-(2-bromo-4-methylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26774997

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-bromo-4-methylphenyl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[(2-bromo-4-methylphenyl)carbamoyl]piperidine-1-carboxylate (CID 113008293) is methyl 4-[(2-bromo-4-methylphenyl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[(2-bromo-4-methylphenyl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[(2-bromo-4-methylphenyl)carbamoyl]piperidine-1-carboxylate is COC(=O)N1CCC(C(=O)Nc2ccc(C)cc2Br)CC1.
What is the InChIKey of methyl 4-[(2-bromo-4-methylphenyl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is PUMSXRWGFJFWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-10-3-4-13(12(16)9-10)17-14(19)11-5-7-18(8-6-11)15(20)21-2/h3-4,9,11H,5-8H2,1-2H3,(H,17,19).
What are the key properties of methyl 4-[(2-bromo-4-methylphenyl)carbamoyl]piperidine-1-carboxylate?
methyl 4-[(2-bromo-4-methylphenyl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 355.23 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-bromo-4-methylphenyl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 113008293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).