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

C23H34Cl2N4O — CID 120884829

IUPACN-(2-aminoethyl)-3-[(4-methylpiperazin-1-yl)methyl]-N-(2-phenylethyl)benzamide;dihydrochloride
SMILESCN1CCN(Cc2cccc(C(=O)N(CCN)CCc3ccccc3)c2)CC1.Cl.Cl
InChIInChI=1S/C23H32N4O.2ClH/c1-25-14-16-26(17-15-25)19-21-8-5-9-22(18-21)23(28)27(13-11-24)12-10-20-6-3-2-4-7-20;;/h2-9,18H,10-17,19,24H2,1H3;2*1H
InChIKeyOJMAKOJTBXGFFF-UHFFFAOYSA-N
MW453.46 g/mol
LogP2.92
Rot. Bonds8

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

N-(2-aminoethyl)-3-[(4-methylpiperazin-1-yl)methyl]-N-(2-phenylethyl)benzamide;dihydrochloride (PubChem CID 120884829) has the molecular formula C23H34Cl2N4O and a molecular weight of 453.46 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-[(4-methylpiperazin-1-yl)methyl]-N-(2-phenylethyl)benzamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-[(4-methylpiperazin-1-yl)methyl]-N-(2-phenylethyl)benzamide;dihydrochloride
PubChem CID120884829
Molecular FormulaC23H34Cl2N4O
Molecular Weight453.46 g/mol
Exact Mass452.21
IUPAC NameN-(2-aminoethyl)-3-[(4-methylpiperazin-1-yl)methyl]-N-(2-phenylethyl)benzamide;dihydrochloride
SMILESCN1CCN(Cc2cccc(C(=O)N(CCN)CCc3ccccc3)c2)CC1.Cl.Cl
InChIInChI=1S/C23H32N4O.2ClH/c1-25-14-16-26(17-15-25)19-21-8-5-9-22(18-21)23(28)27(13-11-24)12-10-20-6-3-2-4-7-20;;/h2-9,18H,10-17,19,24H2,1H3;2*1H
InChIKeyOJMAKOJTBXGFFF-UHFFFAOYSA-N
XLogP2.92
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.46
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(2-aminoethyl)-1-N,1-N-dimethyl-3-N-(2-phenylethyl)benzene-1,3-dicarboxamide;hydrochloride
CID 120885749
N-(2-aminoethyl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-phenylethyl)benzamide;hydrochloride
CID 120884493
N-(2-aminoethyl)-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-(2-phenylethyl)benzamide;hydrochloride
CID 120884917
N-[2-(3-methoxyphenyl)ethyl]-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 171674684
3-N-(2-aminoethyl)-1-N-(2,2-dimethylpropyl)-1-N-methyl-3-N-(2-phenylethyl)benzene-1,3-dicarboxamide;hydrochloride
CID 120886411
N-[2-(4-aminophenyl)ethyl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 119548776
4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885633
N-(2-aminoethyl)-1-methyl-N-(2-phenylethyl)piperidine-4-carboxamide;dihydrochloride
CID 120885911
N-(2-aminoethyl)-2-methyl-1,3-dioxo-N-(2-phenylethyl)isoindole-5-carboxamide
CID 120886128
4-N-(2-aminoethyl)-1-N-ethyl-4-N-(2-phenylethyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 120884506
N-(3-aminobutyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119497673
N-(3-amino-2-methylpropyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119995787

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-[(4-methylpiperazin-1-yl)methyl]-N-(2-phenylethyl)benzamide;dihydrochloride?
The IUPAC name of N-(2-aminoethyl)-3-[(4-methylpiperazin-1-yl)methyl]-N-(2-phenylethyl)benzamide;dihydrochloride (CID 120884829) is N-(2-aminoethyl)-3-[(4-methylpiperazin-1-yl)methyl]-N-(2-phenylethyl)benzamide;dihydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-3-[(4-methylpiperazin-1-yl)methyl]-N-(2-phenylethyl)benzamide;dihydrochloride?
The canonical SMILES for N-(2-aminoethyl)-3-[(4-methylpiperazin-1-yl)methyl]-N-(2-phenylethyl)benzamide;dihydrochloride is CN1CCN(Cc2cccc(C(=O)N(CCN)CCc3ccccc3)c2)CC1.Cl.Cl.
What is the InChIKey of N-(2-aminoethyl)-3-[(4-methylpiperazin-1-yl)methyl]-N-(2-phenylethyl)benzamide;dihydrochloride?
The InChIKey is OJMAKOJTBXGFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O.2ClH/c1-25-14-16-26(17-15-25)19-21-8-5-9-22(18-21)23(28)27(13-11-24)12-10-20-6-3-2-4-7-20;;/h2-9,18H,10-17,19,24H2,1H3;2*1H.
What are the key properties of N-(2-aminoethyl)-3-[(4-methylpiperazin-1-yl)methyl]-N-(2-phenylethyl)benzamide;dihydrochloride?
N-(2-aminoethyl)-3-[(4-methylpiperazin-1-yl)methyl]-N-(2-phenylethyl)benzamide;dihydrochloride has a molecular weight of 453.46 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-[(4-methylpiperazin-1-yl)methyl]-N-(2-phenylethyl)benzamide;dihydrochloride is sourced from PubChem (CID 120884829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).