3-bromo-4-methyl-N-(2-piperazin-1-ylethyl)benzamide

C14H20BrN3O — CID 81471524

IUPAC3-bromo-4-methyl-N-(2-piperazin-1-ylethyl)benzamide
SMILESCc1ccc(C(=O)NCCN2CCNCC2)cc1Br
InChIInChI=1S/C14H20BrN3O/c1-11-2-3-12(10-13(11)15)14(19)17-6-9-18-7-4-16-5-8-18/h2-3,10,16H,4-9H2,1H3,(H,17,19)
InChIKeyIQWBEYQSIQGWQH-UHFFFAOYSA-N
MW326.24 g/mol
LogP1.39
Rot. Bonds4

About 3-bromo-4-methyl-N-(2-piperazin-1-ylethyl)benzamide

3-bromo-4-methyl-N-(2-piperazin-1-ylethyl)benzamide (PubChem CID 81471524) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 3-bromo-4-methyl-N-(2-piperazin-1-ylethyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-methyl-N-(2-piperazin-1-ylethyl)benzamide
PubChem CID81471524
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name3-bromo-4-methyl-N-(2-piperazin-1-ylethyl)benzamide
SMILESCc1ccc(C(=O)NCCN2CCNCC2)cc1Br
InChIInChI=1S/C14H20BrN3O/c1-11-2-3-12(10-13(11)15)14(19)17-6-9-18-7-4-16-5-8-18/h2-3,10,16H,4-9H2,1H3,(H,17,19)
InChIKeyIQWBEYQSIQGWQH-UHFFFAOYSA-N
XLogP1.39
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 79467099
3-bromo-4-chloro-N-(2-piperazin-1-ylethyl)benzamide
CID 107990091
4-methyl-3-methylsulfonyl-N-(2-piperazin-1-ylethyl)benzamide
CID 119446273
4-bromo-3-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 18367611
3-methyl-4-nitro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447275
3-hydroxy-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443390
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
3-benzamido-4-methyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447939
4-methyl-N-(2-piperazin-1-ylethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 119448829
6-methyl-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide
CID 43600318
3-hydroxy-N-(2-piperazin-1-ylethyl)benzamide
CID 43600333
4-methyl-3-(phenylcarbamoylamino)-N-(2-piperazin-1-ylethyl)benzamide
CID 119448778

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-N-(2-piperazin-1-ylethyl)benzamide?
The IUPAC name of 3-bromo-4-methyl-N-(2-piperazin-1-ylethyl)benzamide (CID 81471524) is 3-bromo-4-methyl-N-(2-piperazin-1-ylethyl)benzamide.
What is the SMILES notation for 3-bromo-4-methyl-N-(2-piperazin-1-ylethyl)benzamide?
The canonical SMILES for 3-bromo-4-methyl-N-(2-piperazin-1-ylethyl)benzamide is Cc1ccc(C(=O)NCCN2CCNCC2)cc1Br.
What is the InChIKey of 3-bromo-4-methyl-N-(2-piperazin-1-ylethyl)benzamide?
The InChIKey is IQWBEYQSIQGWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-11-2-3-12(10-13(11)15)14(19)17-6-9-18-7-4-16-5-8-18/h2-3,10,16H,4-9H2,1H3,(H,17,19).
What are the key properties of 3-bromo-4-methyl-N-(2-piperazin-1-ylethyl)benzamide?
3-bromo-4-methyl-N-(2-piperazin-1-ylethyl)benzamide has a molecular weight of 326.24 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-N-(2-piperazin-1-ylethyl)benzamide is sourced from PubChem (CID 81471524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).