N-(3-bromo-4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride

C15H23BrClN3O — CID 90485277

IUPACN-(3-bromo-4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride
SMILESCc1ccc(NC(=O)CCN2CCN(C)CC2)cc1Br.Cl
InChIInChI=1S/C15H22BrN3O.ClH/c1-12-3-4-13(11-14(12)16)17-15(20)5-6-19-9-7-18(2)8-10-19;/h3-4,11H,5-10H2,1-2H3,(H,17,20);1H
InChIKeyJUIUIPLFXYOVLK-UHFFFAOYSA-N
MW376.73 g/mol
LogP2.76
Rot. Bonds4

About N-(3-bromo-4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride

N-(3-bromo-4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride (PubChem CID 90485277) has the molecular formula C15H23BrClN3O and a molecular weight of 376.73 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride
PubChem CID90485277
Molecular FormulaC15H23BrClN3O
Molecular Weight376.73 g/mol
Exact Mass375.07
IUPAC NameN-(3-bromo-4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride
SMILESCc1ccc(NC(=O)CCN2CCN(C)CC2)cc1Br.Cl
InChIInChI=1S/C15H22BrN3O.ClH/c1-12-3-4-13(11-14(12)16)17-15(20)5-6-19-9-7-18(2)8-10-19;/h3-4,11H,5-10H2,1-2H3,(H,17,20);1H
InChIKeyJUIUIPLFXYOVLK-UHFFFAOYSA-N
XLogP2.76
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.73
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-bromo-4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride 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-bromo-3-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride
CID 24747079
N-(3-bromo-4-methylphenyl)-3-piperidin-1-ylpropanamide
CID 778184
N-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;dihydrochloride
CID 19661853
ethyl 1-[3-(3-bromo-4-methylanilino)-3-oxopropyl]-4-phenylpiperidine-4-carboxylate;hydrochloride
CID 90485325
N-(4-bromo-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide;hydrochloride
CID 23724258
N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide
CID 771569
2-(4-aza-1-azoniabicyclo[2.2.2]octan-1-yl)-N-(3-bromo-4-methylphenyl)acetamide
CID 8717396
N-(4-bromo-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 773010
3-(4-methylpiperazin-1-yl)-N-phenylpropanamide
CID 719539
N-(3-bromo-4-methylphenyl)-2-morpholin-4-ylacetamide;hydrochloride
CID 90485324
3-[4-[3-(3-bromoanilino)-3-oxopropyl]piperazin-1-yl]-N-(3-bromophenyl)propanamide;dihydrochloride
CID 126478468
N-(3-bromo-4-methylphenyl)-3-methoxypropanamide
CID 55209257

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride?
The IUPAC name of N-(3-bromo-4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride (CID 90485277) is N-(3-bromo-4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride is Cc1ccc(NC(=O)CCN2CCN(C)CC2)cc1Br.Cl.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride?
The InChIKey is JUIUIPLFXYOVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O.ClH/c1-12-3-4-13(11-14(12)16)17-15(20)5-6-19-9-7-18(2)8-10-19;/h3-4,11H,5-10H2,1-2H3,(H,17,20);1H.
What are the key properties of N-(3-bromo-4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride?
N-(3-bromo-4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride has a molecular weight of 376.73 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride is sourced from PubChem (CID 90485277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).