N-(1-amino-2,4-dimethylpentan-2-yl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride

C20H36Cl2N4O — CID 119599150

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)c1cccc(CN2CCN(C)CC2)c1.Cl.Cl
InChIInChI=1S/C20H34N4O.2ClH/c1-16(2)13-20(3,15-21)22-19(25)18-7-5-6-17(12-18)14-24-10-8-23(4)9-11-24;;/h5-7,12,16H,8-11,13-15,21H2,1-4H3,(H,22,25);2*1H
InChIKeyUWDWQRULZRADQL-UHFFFAOYSA-N
MW419.44 g/mol
LogP2.77
Rot. Bonds7

About N-(1-amino-2,4-dimethylpentan-2-yl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride (PubChem CID 119599150) has the molecular formula C20H36Cl2N4O and a molecular weight of 419.44 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
PubChem CID119599150
Molecular FormulaC20H36Cl2N4O
Molecular Weight419.44 g/mol
Exact Mass418.23
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)c1cccc(CN2CCN(C)CC2)c1.Cl.Cl
InChIInChI=1S/C20H34N4O.2ClH/c1-16(2)13-20(3,15-21)22-19(25)18-7-5-6-17(12-18)14-24-10-8-23(4)9-11-24;;/h5-7,12,16H,8-11,13-15,21H2,1-4H3,(H,22,25);2*1H
InChIKeyUWDWQRULZRADQL-UHFFFAOYSA-N
XLogP2.77
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 119523575
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(methoxymethyl)benzamide;hydrochloride
CID 119600158
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylbenzamide;hydrochloride
CID 119599324
N-(3-amino-2-methylpropyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119995787
N-(3-aminobutyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119497673
N-(1-amino-2,4-dimethylpentan-2-yl)naphthalene-2-carboxamide;hydrochloride
CID 119600055
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylsulfonylbenzamide;hydrochloride
CID 119599708
N-(1-amino-2,4-dimethylpentan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide;hydrochloride
CID 119260997
N-(1-amino-2,4-dimethylpentan-2-yl)-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119599089
N-(4-aminocyclohexyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119477158
N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-difluorobenzamide;hydrochloride
CID 119597433
N-[2-(ethylamino)ethyl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119507486

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride (CID 119599150) is N-(1-amino-2,4-dimethylpentan-2-yl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride is CC(C)CC(C)(CN)NC(=O)c1cccc(CN2CCN(C)CC2)c1.Cl.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride?
The InChIKey is UWDWQRULZRADQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O.2ClH/c1-16(2)13-20(3,15-21)22-19(25)18-7-5-6-17(12-18)14-24-10-8-23(4)9-11-24;;/h5-7,12,16H,8-11,13-15,21H2,1-4H3,(H,22,25);2*1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride has a molecular weight of 419.44 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride is sourced from PubChem (CID 119599150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).