N-[2-(ethylamino)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride

C17H30Cl2N4O — CID 119504910

IUPACN-[2-(ethylamino)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
SMILESCCNCCNC(=O)c1ccc(CN2CCN(C)CC2)cc1.Cl.Cl
InChIInChI=1S/C17H28N4O.2ClH/c1-3-18-8-9-19-17(22)16-6-4-15(5-7-16)14-21-12-10-20(2)11-13-21;;/h4-7,18H,3,8-14H2,1-2H3,(H,19,22);2*1H
InChIKeyMFMXTSJUOIETHW-UHFFFAOYSA-N
MW377.36 g/mol
LogP1.62
Rot. Bonds7

About N-[2-(ethylamino)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride

N-[2-(ethylamino)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride (PubChem CID 119504910) has the molecular formula C17H30Cl2N4O and a molecular weight of 377.36 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
PubChem CID119504910
Molecular FormulaC17H30Cl2N4O
Molecular Weight377.36 g/mol
Exact Mass376.18
IUPAC NameN-[2-(ethylamino)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
SMILESCCNCCNC(=O)c1ccc(CN2CCN(C)CC2)cc1.Cl.Cl
InChIInChI=1S/C17H28N4O.2ClH/c1-3-18-8-9-19-17(22)16-6-4-15(5-7-16)14-21-12-10-20(2)11-13-21;;/h4-7,18H,3,8-14H2,1-2H3,(H,19,22);2*1H
InChIKeyMFMXTSJUOIETHW-UHFFFAOYSA-N
XLogP1.62
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(ethylamino)ethyl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119507486
N-(2-hydroxyethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 110903134
4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride
CID 119390903
4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119390904
4-(azepan-1-ylmethyl)-N-propylbenzamide
CID 43924202
N-[2-(2,4-dichlorophenyl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 112838213
4-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide;molecular hydrogen;propane
CID 144530441
ethane;4-[(4-methylpiperazin-1-yl)methyl]benzoic acid
CID 143662062
N-[3-(aminomethyl)pentan-3-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119568876
4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-propylbenzamide
CID 43924194
4-N-[2-(ethylamino)ethyl]benzene-1,4-dicarboxamide;hydrochloride
CID 119508553
ethane;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone
CID 142962243

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride?
The IUPAC name of N-[2-(ethylamino)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride (CID 119504910) is N-[2-(ethylamino)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride?
The canonical SMILES for N-[2-(ethylamino)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride is CCNCCNC(=O)c1ccc(CN2CCN(C)CC2)cc1.Cl.Cl.
What is the InChIKey of N-[2-(ethylamino)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride?
The InChIKey is MFMXTSJUOIETHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O.2ClH/c1-3-18-8-9-19-17(22)16-6-4-15(5-7-16)14-21-12-10-20(2)11-13-21;;/h4-7,18H,3,8-14H2,1-2H3,(H,19,22);2*1H.
What are the key properties of N-[2-(ethylamino)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride?
N-[2-(ethylamino)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride has a molecular weight of 377.36 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride is sourced from PubChem (CID 119504910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).