2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylpropanamide;trihydrochloride

C16H29Cl3N4O — CID 120597539

IUPAC2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylpropanamide;trihydrochloride
SMILESCN1CCN(CCNC(=O)C(C)(N)c2ccccc2)CC1.Cl.Cl.Cl
InChIInChI=1S/C16H26N4O.3ClH/c1-16(17,14-6-4-3-5-7-14)15(21)18-8-9-20-12-10-19(2)11-13-20;;;/h3-7H,8-13,17H2,1-2H3,(H,18,21);3*1H
InChIKeyGCJKISUYTCVOJY-UHFFFAOYSA-N
MW399.79 g/mol
LogP1.49
Rot. Bonds5

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

2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylpropanamide;trihydrochloride (PubChem CID 120597539) has the molecular formula C16H29Cl3N4O and a molecular weight of 399.79 g/mol. Its IUPAC name is 2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylpropanamide;trihydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylpropanamide;trihydrochloride
PubChem CID120597539
Molecular FormulaC16H29Cl3N4O
Molecular Weight399.79 g/mol
Exact Mass398.14
IUPAC Name2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylpropanamide;trihydrochloride
SMILESCN1CCN(CCNC(=O)C(C)(N)c2ccccc2)CC1.Cl.Cl.Cl
InChIInChI=1S/C16H26N4O.3ClH/c1-16(17,14-6-4-3-5-7-14)15(21)18-8-9-20-12-10-19(2)11-13-20;;;/h3-7H,8-13,17H2,1-2H3,(H,18,21);3*1H
InChIKeyGCJKISUYTCVOJY-UHFFFAOYSA-N
XLogP1.49
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.79
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-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

2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-phenylpropanamide;dihydrochloride
CID 120595447
2-amino-2-phenyl-N-(3-pyrrolidin-1-ylpropyl)propanamide;dihydrochloride
CID 120594845
2-amino-N-(4-morpholin-4-ylbutyl)-2-phenylpropanamide;dihydrochloride
CID 120595503
2-amino-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-phenylpropanamide;hydrochloride
CID 120590902
4-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 120596728
N-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-2,2-dimethylpropanamide
CID 120591033
2-amino-N-(2-cyclopentylethyl)-2-phenylpropanamide;hydrochloride
CID 120588835
3-amino-2,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide;trihydrochloride
CID 119901189
2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-phenylpropanamide;hydrochloride
CID 120589098
2-amino-N-(2-ethylsulfonylethyl)-2-phenylpropanamide;hydrochloride
CID 120591623
2-amino-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-phenylpropanamide
CID 120597599
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide
CID 39984129

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylpropanamide;trihydrochloride?
The IUPAC name of 2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylpropanamide;trihydrochloride (CID 120597539) is 2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylpropanamide;trihydrochloride.
What is the SMILES notation for 2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylpropanamide;trihydrochloride?
The canonical SMILES for 2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylpropanamide;trihydrochloride is CN1CCN(CCNC(=O)C(C)(N)c2ccccc2)CC1.Cl.Cl.Cl.
What is the InChIKey of 2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylpropanamide;trihydrochloride?
The InChIKey is GCJKISUYTCVOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O.3ClH/c1-16(17,14-6-4-3-5-7-14)15(21)18-8-9-20-12-10-19(2)11-13-20;;;/h3-7H,8-13,17H2,1-2H3,(H,18,21);3*1H.
What are the key properties of 2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylpropanamide;trihydrochloride?
2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylpropanamide;trihydrochloride has a molecular weight of 399.79 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylpropanamide;trihydrochloride is sourced from PubChem (CID 120597539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).