N-(1-benzylpiperidin-4-yl)-N'-(2-bromo-4-methylphenyl)oxamide

C21H24BrN3O2 — CID 108532604

IUPACN-(1-benzylpiperidin-4-yl)-N'-(2-bromo-4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NC2CCN(Cc3ccccc3)CC2)c(Br)c1
InChIInChI=1S/C21H24BrN3O2/c1-15-7-8-19(18(22)13-15)24-21(27)20(26)23-17-9-11-25(12-10-17)14-16-5-3-2-4-6-16/h2-8,13,17H,9-12,14H2,1H3,(H,23,26)(H,24,27)
InChIKeyVUQVEBXFUNXCPE-UHFFFAOYSA-N
MW430.35 g/mol
LogP3.48
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)-N'-(2-bromo-4-methylphenyl)oxamide

N-(1-benzylpiperidin-4-yl)-N'-(2-bromo-4-methylphenyl)oxamide (PubChem CID 108532604) has the molecular formula C21H24BrN3O2 and a molecular weight of 430.35 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-N'-(2-bromo-4-methylphenyl)oxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-N'-(2-bromo-4-methylphenyl)oxamide
PubChem CID108532604
Molecular FormulaC21H24BrN3O2
Molecular Weight430.35 g/mol
Exact Mass429.11
IUPAC NameN-(1-benzylpiperidin-4-yl)-N'-(2-bromo-4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NC2CCN(Cc3ccccc3)CC2)c(Br)c1
InChIInChI=1S/C21H24BrN3O2/c1-15-7-8-19(18(22)13-15)24-21(27)20(26)23-17-9-11-25(12-10-17)14-16-5-3-2-4-6-16/h2-8,13,17H,9-12,14H2,1H3,(H,23,26)(H,24,27)
InChIKeyVUQVEBXFUNXCPE-UHFFFAOYSA-N
XLogP3.48
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.35
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[[2-(2-bromo-4-methylanilino)-2-oxoacetyl]amino]piperidine-1-carboxylate
CID 108531772
N-(1-benzylpiperidin-4-yl)-N'-(2-chloro-4,6-dimethylphenyl)oxamide
CID 108532245
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
N-(1-benzylpiperidin-4-yl)-N'-(2-chloro-3-pyridinyl)oxamide
CID 108520507
N-(2-bromo-4-methylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266537
1-(1-benzylpyrrolidin-3-yl)-3-(2,4-dimethylphenyl)urea
CID 23905235
ethyl 2-[(1-benzylpiperidin-4-yl)amino]-2-oxoacetate
CID 60894842
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
N-(2-bromo-4-methylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923517
1-(1-benzylpiperidin-4-yl)-3-(2,4-difluorophenyl)urea
CID 972217
N-(1-benzylpiperidin-4-yl)-2-oxo-2-pyrrolidin-1-ylacetamide
CID 108521147
N-(1-benzylpiperidin-4-yl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 29291844

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-N'-(2-bromo-4-methylphenyl)oxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-N'-(2-bromo-4-methylphenyl)oxamide (CID 108532604) is N-(1-benzylpiperidin-4-yl)-N'-(2-bromo-4-methylphenyl)oxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-N'-(2-bromo-4-methylphenyl)oxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-N'-(2-bromo-4-methylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)NC2CCN(Cc3ccccc3)CC2)c(Br)c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-N'-(2-bromo-4-methylphenyl)oxamide?
The InChIKey is VUQVEBXFUNXCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN3O2/c1-15-7-8-19(18(22)13-15)24-21(27)20(26)23-17-9-11-25(12-10-17)14-16-5-3-2-4-6-16/h2-8,13,17H,9-12,14H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-(1-benzylpiperidin-4-yl)-N'-(2-bromo-4-methylphenyl)oxamide?
N-(1-benzylpiperidin-4-yl)-N'-(2-bromo-4-methylphenyl)oxamide has a molecular weight of 430.35 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-N'-(2-bromo-4-methylphenyl)oxamide is sourced from PubChem (CID 108532604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).