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

C19H34Cl2N4O — CID 119568876

IUPACN-[3-(aminomethyl)pentan-3-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
SMILESCCC(CC)(CN)NC(=O)c1ccc(CN2CCN(C)CC2)cc1.Cl.Cl
InChIInChI=1S/C19H32N4O.2ClH/c1-4-19(5-2,15-20)21-18(24)17-8-6-16(7-9-17)14-23-12-10-22(3)11-13-23;;/h6-9H,4-5,10-15,20H2,1-3H3,(H,21,24);2*1H
InChIKeyDVYLWARCGGXBEI-UHFFFAOYSA-N
MW405.41 g/mol
LogP2.52
Rot. Bonds7

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

N-[3-(aminomethyl)pentan-3-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride (PubChem CID 119568876) has the molecular formula C19H34Cl2N4O and a molecular weight of 405.41 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
PubChem CID119568876
Molecular FormulaC19H34Cl2N4O
Molecular Weight405.41 g/mol
Exact Mass404.21
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
SMILESCCC(CC)(CN)NC(=O)c1ccc(CN2CCN(C)CC2)cc1.Cl.Cl
InChIInChI=1S/C19H32N4O.2ClH/c1-4-19(5-2,15-20)21-18(24)17-8-6-16(7-9-17)14-23-12-10-22(3)11-13-23;;/h6-9H,4-5,10-15,20H2,1-3H3,(H,21,24);2*1H
InChIKeyDVYLWARCGGXBEI-UHFFFAOYSA-N
XLogP2.52
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 119521599
N-[3-(aminomethyl)pentan-3-yl]-4-propylbenzamide;hydrochloride
CID 119571299
ethane;4-[(4-methylpiperazin-1-yl)methyl]benzoic acid
CID 143662062
4-(aminomethyl)-N-(3-ethylpentan-3-yl)benzamide;hydrochloride
CID 119334920
N-[2-(ethylamino)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119504910
N-[3-(aminomethyl)pentan-3-yl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 119569020
N-(2-hydroxyethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 110903134
N-(4-aminophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 84614037
N-[3-(aminomethyl)pentan-3-yl]-4-(difluoromethylsulfonylmethyl)benzamide;hydrochloride
CID 119572048
N-(1-amino-2-methylpropan-2-yl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 119523575
N-(2-amino-1-cyclohexylethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 119589185
ethane;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone
CID 142962243

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride (CID 119568876) is N-[3-(aminomethyl)pentan-3-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride is CCC(CC)(CN)NC(=O)c1ccc(CN2CCN(C)CC2)cc1.Cl.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride?
The InChIKey is DVYLWARCGGXBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O.2ClH/c1-4-19(5-2,15-20)21-18(24)17-8-6-16(7-9-17)14-23-12-10-22(3)11-13-23;;/h6-9H,4-5,10-15,20H2,1-3H3,(H,21,24);2*1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride has a molecular weight of 405.41 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride is sourced from PubChem (CID 119568876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).