3-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenylpropanamide;trihydrochloride

C18H33Cl3N4O — CID 119901081

IUPAC3-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenylpropanamide;trihydrochloride
SMILESCC(C(=O)NCCCN1CCN(C)CC1)C(N)c1ccccc1.Cl.Cl.Cl
InChIInChI=1S/C18H30N4O.3ClH/c1-15(17(19)16-7-4-3-5-8-16)18(23)20-9-6-10-22-13-11-21(2)12-14-22;;;/h3-5,7-8,15,17H,6,9-14,19H2,1-2H3,(H,20,23);3*1H
InChIKeyBATKQUAWACBWML-UHFFFAOYSA-N
MW427.85 g/mol
LogP2.34
Rot. Bonds7

About 3-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenylpropanamide;trihydrochloride

3-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenylpropanamide;trihydrochloride (PubChem CID 119901081) has the molecular formula C18H33Cl3N4O and a molecular weight of 427.85 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenylpropanamide;trihydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenylpropanamide;trihydrochloride
PubChem CID119901081
Molecular FormulaC18H33Cl3N4O
Molecular Weight427.85 g/mol
Exact Mass426.17
IUPAC Name3-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenylpropanamide;trihydrochloride
SMILESCC(C(=O)NCCCN1CCN(C)CC1)C(N)c1ccccc1.Cl.Cl.Cl
InChIInChI=1S/C18H30N4O.3ClH/c1-15(17(19)16-7-4-3-5-8-16)18(23)20-9-6-10-22-13-11-21(2)12-14-22;;;/h3-5,7-8,15,17H,6,9-14,19H2,1-2H3,(H,20,23);3*1H
InChIKeyBATKQUAWACBWML-UHFFFAOYSA-N
XLogP2.34
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.85
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenylpropanamide;trihydrochloride 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-amino-2-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-phenylpropanamide
CID 119902468
2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-phenylacetamide
CID 61251743
3-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119850097
3-amino-2-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide;trihydrochloride
CID 120504407
N-(3-acetamidopropyl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride
CID 119725929
4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]butanoic acid
CID 80552213
3-amino-N-(5-hydroxypentyl)-2-methyl-3-phenylpropanamide
CID 107317767
1-[4-(4-methylpiperazin-1-yl)butyl]-3-[(1R)-1-phenylethyl]urea
CID 94813321
3-amino-N-(4-methoxybutyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119722375
methyl 6-[(3-amino-2-methyl-3-phenylpropanoyl)amino]hexanoate
CID 119686216
3-amino-N-(5,5-dimethylhexyl)-2-methyl-3-phenylpropanamide
CID 119775743
3-amino-N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-2-methyl-3-phenylpropanamide
CID 119784082

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenylpropanamide;trihydrochloride?
The IUPAC name of 3-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenylpropanamide;trihydrochloride (CID 119901081) is 3-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenylpropanamide;trihydrochloride.
What is the SMILES notation for 3-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenylpropanamide;trihydrochloride?
The canonical SMILES for 3-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenylpropanamide;trihydrochloride is CC(C(=O)NCCCN1CCN(C)CC1)C(N)c1ccccc1.Cl.Cl.Cl.
What is the InChIKey of 3-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenylpropanamide;trihydrochloride?
The InChIKey is BATKQUAWACBWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O.3ClH/c1-15(17(19)16-7-4-3-5-8-16)18(23)20-9-6-10-22-13-11-21(2)12-14-22;;;/h3-5,7-8,15,17H,6,9-14,19H2,1-2H3,(H,20,23);3*1H.
What are the key properties of 3-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenylpropanamide;trihydrochloride?
3-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenylpropanamide;trihydrochloride has a molecular weight of 427.85 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenylpropanamide;trihydrochloride is sourced from PubChem (CID 119901081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).