N-[2-(ethylamino)ethyl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride

C17H30Cl2N4O — CID 119507486

IUPACN-[2-(ethylamino)ethyl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
SMILESCCNCCNC(=O)c1cccc(CN2CCN(C)CC2)c1.Cl.Cl
InChIInChI=1S/C17H28N4O.2ClH/c1-3-18-7-8-19-17(22)16-6-4-5-15(13-16)14-21-11-9-20(2)10-12-21;;/h4-6,13,18H,3,7-12,14H2,1-2H3,(H,19,22);2*1H
InChIKeyAUNOSVYQGWAQFC-UHFFFAOYSA-N
MW377.36 g/mol
LogP1.62
Rot. Bonds7

About N-[2-(ethylamino)ethyl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride

N-[2-(ethylamino)ethyl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride (PubChem CID 119507486) has the molecular formula C17H30Cl2N4O and a molecular weight of 377.36 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
PubChem CID119507486
Molecular FormulaC17H30Cl2N4O
Molecular Weight377.36 g/mol
Exact Mass376.18
IUPAC NameN-[2-(ethylamino)ethyl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
SMILESCCNCCNC(=O)c1cccc(CN2CCN(C)CC2)c1.Cl.Cl
InChIInChI=1S/C17H28N4O.2ClH/c1-3-18-7-8-19-17(22)16-6-4-5-15(13-16)14-21-11-9-20(2)10-12-21;;/h4-6,13,18H,3,7-12,14H2,1-2H3,(H,19,22);2*1H
InChIKeyAUNOSVYQGWAQFC-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]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119504910
N-(3-aminobutyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119497673
N-[2-(4-aminophenyl)ethyl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 119548776
N-[3-(4-methylpiperazin-1-yl)propyl]-3-(morpholin-4-ylmethyl)benzamide
CID 99957182
N-[2-(methylamino)ethyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride
CID 119503445
N-(3-amino-2-methylpropyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119995787
N-(4-aminocyclohexyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119477158
N-(1-amino-2-methylpropan-2-yl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 119523575
N-(2-hydroxy-6-methylphenyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 86783956
3-(morpholin-4-ylmethyl)-N-pentylbenzamide
CID 92685635
3-[(4-methylpiperazin-1-yl)methyl]-N-(2-methylpiperidin-4-yl)benzamide;dihydrochloride
CID 120601515
1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pentan-1-one
CID 143584979

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride?
The IUPAC name of N-[2-(ethylamino)ethyl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride (CID 119507486) is N-[2-(ethylamino)ethyl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride?
The canonical SMILES for N-[2-(ethylamino)ethyl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride is CCNCCNC(=O)c1cccc(CN2CCN(C)CC2)c1.Cl.Cl.
What is the InChIKey of N-[2-(ethylamino)ethyl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride?
The InChIKey is AUNOSVYQGWAQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O.2ClH/c1-3-18-7-8-19-17(22)16-6-4-5-15(13-16)14-21-11-9-20(2)10-12-21;;/h4-6,13,18H,3,7-12,14H2,1-2H3,(H,19,22);2*1H.
What are the key properties of N-[2-(ethylamino)ethyl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride?
N-[2-(ethylamino)ethyl]-3-[(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]-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride is sourced from PubChem (CID 119507486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).