3-bromo-N-(2-piperazin-1-ylethyl)-5-propan-2-yloxybenzamide

C16H24BrN3O2 — CID 119446488

IUPAC3-bromo-N-(2-piperazin-1-ylethyl)-5-propan-2-yloxybenzamide
SMILESCC(C)Oc1cc(Br)cc(C(=O)NCCN2CCNCC2)c1
InChIInChI=1S/C16H24BrN3O2/c1-12(2)22-15-10-13(9-14(17)11-15)16(21)19-5-8-20-6-3-18-4-7-20/h9-12,18H,3-8H2,1-2H3,(H,19,21)
InChIKeyPCWPRLJHXYQIJT-UHFFFAOYSA-N
MW370.29 g/mol
LogP1.87
Rot. Bonds6

About 3-bromo-N-(2-piperazin-1-ylethyl)-5-propan-2-yloxybenzamide

3-bromo-N-(2-piperazin-1-ylethyl)-5-propan-2-yloxybenzamide (PubChem CID 119446488) has the molecular formula C16H24BrN3O2 and a molecular weight of 370.29 g/mol. Its IUPAC name is 3-bromo-N-(2-piperazin-1-ylethyl)-5-propan-2-yloxybenzamide.

Molecular Properties

Compound Name3-bromo-N-(2-piperazin-1-ylethyl)-5-propan-2-yloxybenzamide
PubChem CID119446488
Molecular FormulaC16H24BrN3O2
Molecular Weight370.29 g/mol
Exact Mass369.11
IUPAC Name3-bromo-N-(2-piperazin-1-ylethyl)-5-propan-2-yloxybenzamide
SMILESCC(C)Oc1cc(Br)cc(C(=O)NCCN2CCNCC2)c1
InChIInChI=1S/C16H24BrN3O2/c1-12(2)22-15-10-13(9-14(17)11-15)16(21)19-5-8-20-6-3-18-4-7-20/h9-12,18H,3-8H2,1-2H3,(H,19,21)
InChIKeyPCWPRLJHXYQIJT-UHFFFAOYSA-N
XLogP1.87
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-bromo-N-(2-piperazin-1-ylethyl)-5-propan-2-yloxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-5-fluoro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443290
3-ethoxy-N-(2-piperazin-1-ylethyl)benzamide
CID 119447922
N-(2-piperazin-1-ylethyl)-3-propoxybenzamide
CID 62050340
3-bromo-4-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 81471524
4-bromo-N-(2-piperazin-1-ylethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43640202
5-methyl-N-(2-piperazin-1-ylethyl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide;hydrochloride
CID 119446433
3-(2-methoxyethoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119444759
3-bromo-4-chloro-N-(2-piperazin-1-ylethyl)benzamide
CID 107990091
N-(2-morpholin-4-ylethyl)-4-propan-2-yloxybenzamide
CID 6471257
(3-bromo-5-propan-2-yloxyphenyl)-(2-methylpiperazin-1-yl)methanone
CID 119471332
N-(2-piperazin-1-ylethyl)-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
CID 119448074
N-(2-piperazin-1-ylethyl)-3,5-bis(trifluoromethyl)benzamide;hydrochloride
CID 119446681

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-piperazin-1-ylethyl)-5-propan-2-yloxybenzamide?
The IUPAC name of 3-bromo-N-(2-piperazin-1-ylethyl)-5-propan-2-yloxybenzamide (CID 119446488) is 3-bromo-N-(2-piperazin-1-ylethyl)-5-propan-2-yloxybenzamide.
What is the SMILES notation for 3-bromo-N-(2-piperazin-1-ylethyl)-5-propan-2-yloxybenzamide?
The canonical SMILES for 3-bromo-N-(2-piperazin-1-ylethyl)-5-propan-2-yloxybenzamide is CC(C)Oc1cc(Br)cc(C(=O)NCCN2CCNCC2)c1.
What is the InChIKey of 3-bromo-N-(2-piperazin-1-ylethyl)-5-propan-2-yloxybenzamide?
The InChIKey is PCWPRLJHXYQIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O2/c1-12(2)22-15-10-13(9-14(17)11-15)16(21)19-5-8-20-6-3-18-4-7-20/h9-12,18H,3-8H2,1-2H3,(H,19,21).
What are the key properties of 3-bromo-N-(2-piperazin-1-ylethyl)-5-propan-2-yloxybenzamide?
3-bromo-N-(2-piperazin-1-ylethyl)-5-propan-2-yloxybenzamide has a molecular weight of 370.29 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-piperazin-1-ylethyl)-5-propan-2-yloxybenzamide is sourced from PubChem (CID 119446488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).