4-[methyl(propyl)amino]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride

C18H32Cl2N4O — CID 119394671

IUPAC4-[methyl(propyl)amino]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride
SMILESCCCN(C)c1ccc(C(=O)NCCCN2CCNCC2)cc1.Cl.Cl
InChIInChI=1S/C18H30N4O.2ClH/c1-3-12-21(2)17-7-5-16(6-8-17)18(23)20-9-4-13-22-14-10-19-11-15-22;;/h5-8,19H,3-4,9-15H2,1-2H3,(H,20,23);2*1H
InChIKeyFYTFEIXPFXVZPA-UHFFFAOYSA-N
MW391.39 g/mol
LogP2.40
Rot. Bonds8

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

4-[methyl(propyl)amino]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride (PubChem CID 119394671) has the molecular formula C18H32Cl2N4O and a molecular weight of 391.39 g/mol. Its IUPAC name is 4-[methyl(propyl)amino]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride.

Molecular Properties

Compound Name4-[methyl(propyl)amino]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride
PubChem CID119394671
Molecular FormulaC18H32Cl2N4O
Molecular Weight391.39 g/mol
Exact Mass390.20
IUPAC Name4-[methyl(propyl)amino]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride
SMILESCCCN(C)c1ccc(C(=O)NCCCN2CCNCC2)cc1.Cl.Cl
InChIInChI=1S/C18H30N4O.2ClH/c1-3-12-21(2)17-7-5-16(6-8-17)18(23)20-9-4-13-22-14-10-19-11-15-22;;/h5-8,19H,3-4,9-15H2,1-2H3,(H,20,23);2*1H
InChIKeyFYTFEIXPFXVZPA-UHFFFAOYSA-N
XLogP2.40
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 52.40
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

4-[ethyl(propyl)amino]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119390940
1-N-(3-piperazin-1-ylpropyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 119392034
4-methylsulfanyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119390747
N-[3-(methylamino)propyl]-4-[methyl(propyl)amino]benzamide;dihydrochloride
CID 119434376
N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119391119
4-(diethylsulfamoyl)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392771
3-N-ethyl-3-N-methyl-1-N-(3-piperazin-1-ylpropyl)benzene-1,3-dicarboxamide
CID 119394571
4-[methyl(propan-2-yl)sulfamoyl]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119394399
4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride
CID 119390903
4-(difluoromethylsulfanyl)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119392818
4-[methyl(propyl)amino]-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 47086005
4-(methoxymethyl)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119393714

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(propyl)amino]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride?
The IUPAC name of 4-[methyl(propyl)amino]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride (CID 119394671) is 4-[methyl(propyl)amino]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride.
What is the SMILES notation for 4-[methyl(propyl)amino]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride?
The canonical SMILES for 4-[methyl(propyl)amino]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride is CCCN(C)c1ccc(C(=O)NCCCN2CCNCC2)cc1.Cl.Cl.
What is the InChIKey of 4-[methyl(propyl)amino]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride?
The InChIKey is FYTFEIXPFXVZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O.2ClH/c1-3-12-21(2)17-7-5-16(6-8-17)18(23)20-9-4-13-22-14-10-19-11-15-22;;/h5-8,19H,3-4,9-15H2,1-2H3,(H,20,23);2*1H.
What are the key properties of 4-[methyl(propyl)amino]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride?
4-[methyl(propyl)amino]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride has a molecular weight of 391.39 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(propyl)amino]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride is sourced from PubChem (CID 119394671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).