N-(3-aminobutyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride

C17H30Cl2N4O — CID 119497673

IUPACN-(3-aminobutyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
SMILESCC(N)CCNC(=O)c1cccc(CN2CCN(C)CC2)c1.Cl.Cl
InChIInChI=1S/C17H28N4O.2ClH/c1-14(18)6-7-19-17(22)16-5-3-4-15(12-16)13-21-10-8-20(2)9-11-21;;/h3-5,12,14H,6-11,13,18H2,1-2H3,(H,19,22);2*1H
InChIKeyITYSIBUTFGLORF-UHFFFAOYSA-N
MW377.36 g/mol
LogP1.74
Rot. Bonds6

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

N-(3-aminobutyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride (PubChem CID 119497673) has the molecular formula C17H30Cl2N4O and a molecular weight of 377.36 g/mol. Its IUPAC name is N-(3-aminobutyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
PubChem CID119497673
Molecular FormulaC17H30Cl2N4O
Molecular Weight377.36 g/mol
Exact Mass376.18
IUPAC NameN-(3-aminobutyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
SMILESCC(N)CCNC(=O)c1cccc(CN2CCN(C)CC2)c1.Cl.Cl
InChIInChI=1S/C17H28N4O.2ClH/c1-14(18)6-7-19-17(22)16-5-3-4-15(12-16)13-21-10-8-20(2)9-11-21;;/h3-5,12,14H,6-11,13,18H2,1-2H3,(H,19,22);2*1H
InChIKeyITYSIBUTFGLORF-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2-methylpropyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119995787
N-[2-(ethylamino)ethyl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119507486
N-[2-(4-aminophenyl)ethyl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 119548776
N-(3-methylbutyl)-3-(piperazin-1-ylmethyl)benzamide
CID 82166284
N-[3-(4-methylpiperazin-1-yl)propyl]-3-(morpholin-4-ylmethyl)benzamide
CID 99957182
N-(4-aminocyclohexyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119477158
N-(1-amino-2,4-dimethylpentan-2-yl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119599150
3-N-(3-aminobutyl)benzene-1,3-dicarboxamide;hydrochloride
CID 119498174
3-N-(3-aminobutyl)-1-N-propylbenzene-1,3-dicarboxamide;hydrochloride
CID 119495246
N-[2-(methylamino)ethyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride
CID 119503445
N-(1-amino-2-methylpropan-2-yl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 119523575
N-benzyl-3-[[4-(3,3-diphenylpropyl)piperazin-1-yl]methyl]benzamide
CID 91479022

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride?
The IUPAC name of N-(3-aminobutyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride (CID 119497673) is N-(3-aminobutyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride?
The canonical SMILES for N-(3-aminobutyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride is CC(N)CCNC(=O)c1cccc(CN2CCN(C)CC2)c1.Cl.Cl.
What is the InChIKey of N-(3-aminobutyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride?
The InChIKey is ITYSIBUTFGLORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O.2ClH/c1-14(18)6-7-19-17(22)16-5-3-4-15(12-16)13-21-10-8-20(2)9-11-21;;/h3-5,12,14H,6-11,13,18H2,1-2H3,(H,19,22);2*1H.
What are the key properties of N-(3-aminobutyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride?
N-(3-aminobutyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride has a molecular weight of 377.36 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride is sourced from PubChem (CID 119497673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).