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

C20H33N5O — CID 119390904

IUPAC4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide
SMILESCN1CCN(Cc2ccc(C(=O)NCCCN3CCNCC3)cc2)CC1
InChIInChI=1S/C20H33N5O/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)
InChIKeyJSFWZEDAAMMZAG-UHFFFAOYSA-N
MW359.52 g/mol
LogP0.46
Rot. Bonds7

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

4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide (PubChem CID 119390904) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is 4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide
PubChem CID119390904
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC Name4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide
SMILESCN1CCN(Cc2ccc(C(=O)NCCCN3CCNCC3)cc2)CC1
InChIInChI=1S/C20H33N5O/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)
InChIKeyJSFWZEDAAMMZAG-UHFFFAOYSA-N
XLogP0.46
TPSA50.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride
CID 119390903
4-(methoxymethyl)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119393714
N-(2-hydroxyethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 110903134
4-[(carbamoylamino)methyl]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119391112
4-methylsulfanyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119390747
3-hydroxy-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443390
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
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
4-phenyl-N-(4-piperazin-1-ylbutyl)benzamide
CID 144947702

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide?
The IUPAC name of 4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide (CID 119390904) is 4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide.
What is the SMILES notation for 4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide?
The canonical SMILES for 4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide is CN1CCN(Cc2ccc(C(=O)NCCCN3CCNCC3)cc2)CC1.
What is the InChIKey of 4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide?
The InChIKey is JSFWZEDAAMMZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O/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).
What are the key properties of 4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide?
4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide has a molecular weight of 359.52 g/mol, XLogP of 0.46, 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 is sourced from PubChem (CID 119390904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).