N-(2-bromophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide

C15H20BrN3O2 — CID 108507327

IUPACN-(2-bromophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide
SMILESCN1CCC(N(C)C(=O)C(=O)Nc2ccccc2Br)CC1
InChIInChI=1S/C15H20BrN3O2/c1-18-9-7-11(8-10-18)19(2)15(21)14(20)17-13-6-4-3-5-12(13)16/h3-6,11H,7-10H2,1-2H3,(H,17,20)
InChIKeyQSUGPJRXMITPAJ-UHFFFAOYSA-N
MW354.25 g/mol
LogP1.94
Rot. Bonds2

About N-(2-bromophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide

N-(2-bromophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide (PubChem CID 108507327) has the molecular formula C15H20BrN3O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is N-(2-bromophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide
PubChem CID108507327
Molecular FormulaC15H20BrN3O2
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC NameN-(2-bromophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide
SMILESCN1CCC(N(C)C(=O)C(=O)Nc2ccccc2Br)CC1
InChIInChI=1S/C15H20BrN3O2/c1-18-9-7-11(8-10-18)19(2)15(21)14(20)17-13-6-4-3-5-12(13)16/h3-6,11H,7-10H2,1-2H3,(H,17,20)
InChIKeyQSUGPJRXMITPAJ-UHFFFAOYSA-N
XLogP1.94
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-(2-bromophenyl)-1-cyclohexyl-1-methylurea
CID 108868725
N-(4-ethylphenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide
CID 108507216
N'-methyl-N'-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)oxamide
CID 108505781
N-[(2-chlorophenyl)methyl]-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide
CID 108506051
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide
CID 108507170
N-(2-bromophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide;ethane
CID 123664942
2-amino-3-bromo-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 110451168
N-(2-butan-2-ylphenyl)-N'-cyclohexyl-N'-methyloxamide
CID 108503858
[(3R)-1-methylpyrrolidin-3-yl]methyl N-(2-bromophenyl)carbamate
CID 121425420
2-bromo-5-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 24705868
(Z)-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)-3-(2-propan-2-ylanilino)prop-2-enamide
CID 108838404
(Z)-3-(2-bromoanilino)-2-cyano-N-cyclohexyl-N-methylprop-2-enamide
CID 108830481

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide?
The IUPAC name of N-(2-bromophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide (CID 108507327) is N-(2-bromophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide.
What is the SMILES notation for N-(2-bromophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide?
The canonical SMILES for N-(2-bromophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide is CN1CCC(N(C)C(=O)C(=O)Nc2ccccc2Br)CC1.
What is the InChIKey of N-(2-bromophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide?
The InChIKey is QSUGPJRXMITPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2/c1-18-9-7-11(8-10-18)19(2)15(21)14(20)17-13-6-4-3-5-12(13)16/h3-6,11H,7-10H2,1-2H3,(H,17,20).
What are the key properties of N-(2-bromophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide?
N-(2-bromophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide has a molecular weight of 354.25 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide is sourced from PubChem (CID 108507327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).