N-(5-bromo-2-methylphenyl)-2-piperazin-1-ylpropanamide

C14H20BrN3O — CID 43806210

IUPACN-(5-bromo-2-methylphenyl)-2-piperazin-1-ylpropanamide
SMILESCc1ccc(Br)cc1NC(=O)C(C)N1CCNCC1
InChIInChI=1S/C14H20BrN3O/c1-10-3-4-12(15)9-13(10)17-14(19)11(2)18-7-5-16-6-8-18/h3-4,9,11,16H,5-8H2,1-2H3,(H,17,19)
InChIKeyZPFFYYRVHFUZJU-UHFFFAOYSA-N
MW326.24 g/mol
LogP1.99
Rot. Bonds3

About N-(5-bromo-2-methylphenyl)-2-piperazin-1-ylpropanamide

N-(5-bromo-2-methylphenyl)-2-piperazin-1-ylpropanamide (PubChem CID 43806210) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)-2-piperazin-1-ylpropanamide
PubChem CID43806210
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC NameN-(5-bromo-2-methylphenyl)-2-piperazin-1-ylpropanamide
SMILESCc1ccc(Br)cc1NC(=O)C(C)N1CCNCC1
InChIInChI=1S/C14H20BrN3O/c1-10-3-4-12(15)9-13(10)17-14(19)11(2)18-7-5-16-6-8-18/h3-4,9,11,16H,5-8H2,1-2H3,(H,17,19)
InChIKeyZPFFYYRVHFUZJU-UHFFFAOYSA-N
XLogP1.99
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(5-bromo-2-methylphenyl)-2-piperazin-1-ylpropanamide 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

N-(4-bromophenyl)-2-piperazin-1-ylpropanamide
CID 43089557
N-(2,3-dimethylphenyl)-2-piperazin-1-ylpropanamide
CID 43130569
N-(2-chloro-5-methylphenyl)-2-piperazin-1-ylpropanamide
CID 107626960
N-(2-bromo-3-chlorophenyl)-2-piperazin-1-ylpropanamide
CID 103480528
N-(2,6-difluoro-3-methylphenyl)-2-piperazin-1-ylpropanamide
CID 82820113
2-amino-N-(5-bromo-2-methylphenyl)propanamide;hydrochloride
CID 119279910
(2R)-2-(azocan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide
CID 9460529
(2R)-2-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide
CID 9249952
2-amino-N-(5-bromo-2-methylphenyl)-3-methylbutanamide
CID 43712521
N-naphthalen-1-yl-2-piperazin-1-ylpropanamide
CID 43089580
2-piperazin-1-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 43130627
N-(2,5-dimethylphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 110891637

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)-2-piperazin-1-ylpropanamide?
The IUPAC name of N-(5-bromo-2-methylphenyl)-2-piperazin-1-ylpropanamide (CID 43806210) is N-(5-bromo-2-methylphenyl)-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-(5-bromo-2-methylphenyl)-2-piperazin-1-ylpropanamide is Cc1ccc(Br)cc1NC(=O)C(C)N1CCNCC1.
What is the InChIKey of N-(5-bromo-2-methylphenyl)-2-piperazin-1-ylpropanamide?
The InChIKey is ZPFFYYRVHFUZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-10-3-4-12(15)9-13(10)17-14(19)11(2)18-7-5-16-6-8-18/h3-4,9,11,16H,5-8H2,1-2H3,(H,17,19).
What are the key properties of N-(5-bromo-2-methylphenyl)-2-piperazin-1-ylpropanamide?
N-(5-bromo-2-methylphenyl)-2-piperazin-1-ylpropanamide has a molecular weight of 326.24 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methylphenyl)-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 43806210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).