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

C17H30Cl2N4O — CID 119995787

IUPACN-(3-amino-2-methylpropyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
SMILESCC(CN)CNC(=O)c1cccc(CN2CCN(C)CC2)c1.Cl.Cl
InChIInChI=1S/C17H28N4O.2ClH/c1-14(11-18)12-19-17(22)16-5-3-4-15(10-16)13-21-8-6-20(2)7-9-21;;/h3-5,10,14H,6-9,11-13,18H2,1-2H3,(H,19,22);2*1H
InChIKeyNWIZDBXRQWHNJG-UHFFFAOYSA-N
MW377.36 g/mol
LogP1.60
Rot. Bonds6

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

N-(3-amino-2-methylpropyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride (PubChem CID 119995787) has the molecular formula C17H30Cl2N4O and a molecular weight of 377.36 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
PubChem CID119995787
Molecular FormulaC17H30Cl2N4O
Molecular Weight377.36 g/mol
Exact Mass376.18
IUPAC NameN-(3-amino-2-methylpropyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
SMILESCC(CN)CNC(=O)c1cccc(CN2CCN(C)CC2)c1.Cl.Cl
InChIInChI=1S/C17H28N4O.2ClH/c1-14(11-18)12-19-17(22)16-5-3-4-15(10-16)13-21-8-6-20(2)7-9-21;;/h3-5,10,14H,6-9,11-13,18H2,1-2H3,(H,19,22);2*1H
InChIKeyNWIZDBXRQWHNJG-UHFFFAOYSA-N
XLogP1.60
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2-methylpropyl)-3-(pyrrolidin-1-ylmethyl)benzamide
CID 119997738
N-(3-aminobutyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119497673
N-[2-(ethylamino)ethyl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119507486
N-(1-amino-2,4-dimethylpentan-2-yl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119599150
N-(1-amino-2-methylpropan-2-yl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 119523575
N-[2-(4-aminophenyl)ethyl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 119548776
N-(4-aminocyclohexyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119477158
N-[3-(4-methylpiperazin-1-yl)propyl]-3-(morpholin-4-ylmethyl)benzamide
CID 99957182
N-[2-(methylamino)propyl]-3-(morpholin-4-ylmethyl)benzamide
CID 120827373
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)benzamide
CID 46055817
N-(2-amino-2-phenylethyl)-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide;dihydrochloride
CID 119529003
3-[(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]-N-(2-methylpropyl)benzamide
CID 136518363

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride (CID 119995787) is N-(3-amino-2-methylpropyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride is CC(CN)CNC(=O)c1cccc(CN2CCN(C)CC2)c1.Cl.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride?
The InChIKey is NWIZDBXRQWHNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O.2ClH/c1-14(11-18)12-19-17(22)16-5-3-4-15(10-16)13-21-8-6-20(2)7-9-21;;/h3-5,10,14H,6-9,11-13,18H2,1-2H3,(H,19,22);2*1H.
What are the key properties of N-(3-amino-2-methylpropyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride?
N-(3-amino-2-methylpropyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride has a molecular weight of 377.36 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride is sourced from PubChem (CID 119995787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).