4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride

C20H35Cl2N5O — CID 119390903

IUPAC4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride
SMILESCN1CCN(Cc2ccc(C(=O)NCCCN3CCNCC3)cc2)CC1.Cl.Cl
InChIInChI=1S/C20H33N5O.2ClH/c1-23-13-15-25(16-14-23)17-18-3-5-19(6-4-18)20(26)22-7-2-10-24-11-8-21-9-12-24;;/h3-6,21H,2,7-17H2,1H3,(H,22,26);2*1H
InChIKeyVQBQANAMZDYMBI-UHFFFAOYSA-N
MW432.44 g/mol
LogP1.30
Rot. Bonds7

About 4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride

4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride (PubChem CID 119390903) has the molecular formula C20H35Cl2N5O and a molecular weight of 432.44 g/mol. Its IUPAC name is 4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride.

Molecular Properties

Compound Name4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride
PubChem CID119390903
Molecular FormulaC20H35Cl2N5O
Molecular Weight432.44 g/mol
Exact Mass431.22
IUPAC Name4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride
SMILESCN1CCN(Cc2ccc(C(=O)NCCCN3CCNCC3)cc2)CC1.Cl.Cl
InChIInChI=1S/C20H33N5O.2ClH/c1-23-13-15-25(16-14-23)17-18-3-5-19(6-4-18)20(26)22-7-2-10-24-11-8-21-9-12-24;;/h3-6,21H,2,7-17H2,1H3,(H,22,26);2*1H
InChIKeyVQBQANAMZDYMBI-UHFFFAOYSA-N
XLogP1.30
TPSA50.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride 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

4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119390904
4-(methoxymethyl)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119393714
N-(2-hydroxyethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 110903134
4-methylsulfanyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119390747
4-[(carbamoylamino)methyl]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119391112
N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119391119
N-[2-(ethylamino)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119504910
3-hydroxy-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443390
2-oxo-N-(3-piperazin-1-ylpropyl)-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride
CID 119391883
N-methyl-4-(piperazin-1-ylmethyl)benzamide
CID 82166251
4-(2-methoxyethoxy)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392575
N-[3-(4-methylpiperazin-1-yl)propyl]-4-propan-2-ylbenzamide
CID 59186291

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride?
The IUPAC name of 4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride (CID 119390903) is 4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride.
What is the SMILES notation for 4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride?
The canonical SMILES for 4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride is CN1CCN(Cc2ccc(C(=O)NCCCN3CCNCC3)cc2)CC1.Cl.Cl.
What is the InChIKey of 4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride?
The InChIKey is VQBQANAMZDYMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O.2ClH/c1-23-13-15-25(16-14-23)17-18-3-5-19(6-4-18)20(26)22-7-2-10-24-11-8-21-9-12-24;;/h3-6,21H,2,7-17H2,1H3,(H,22,26);2*1H.
What are the key properties of 4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride?
4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride has a molecular weight of 432.44 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride is sourced from PubChem (CID 119390903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).