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

C20H36Cl2N4O — CID 119657579

IUPACN-(3-amino-4-methylpentyl)-N-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)c1ccc(CN2CCN(C)CC2)cc1.Cl.Cl
InChIInChI=1S/C20H34N4O.2ClH/c1-16(2)19(21)9-10-23(4)20(25)18-7-5-17(6-8-18)15-24-13-11-22(3)12-14-24;;/h5-8,16,19H,9-15,21H2,1-4H3;2*1H
InChIKeyUNVVYSODTIAVOY-UHFFFAOYSA-N
MW419.44 g/mol
LogP2.72
Rot. Bonds7

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

N-(3-amino-4-methylpentyl)-N-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride (PubChem CID 119657579) has the molecular formula C20H36Cl2N4O and a molecular weight of 419.44 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
PubChem CID119657579
Molecular FormulaC20H36Cl2N4O
Molecular Weight419.44 g/mol
Exact Mass418.23
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)c1ccc(CN2CCN(C)CC2)cc1.Cl.Cl
InChIInChI=1S/C20H34N4O.2ClH/c1-16(2)19(21)9-10-23(4)20(25)18-7-5-17(6-8-18)15-24-13-11-22(3)12-14-24;;/h5-8,16,19H,9-15,21H2,1-4H3;2*1H
InChIKeyUNVVYSODTIAVOY-UHFFFAOYSA-N
XLogP2.72
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-amino-4-methylpentyl)-N-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-amino-4-methylpentyl)-4-ethyl-N-methylbenzamide;hydrochloride
CID 119657274
4-amino-N-(3-amino-4-methylpentyl)-N-methylbenzamide
CID 122080936
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 119652718
N-(3-amino-4-methylpentyl)-4-fluoro-N-methylbenzamide
CID 81484690
N-(3-amino-4-methylpentyl)-1-[(4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide;hydrochloride
CID 119659742
N-(3-amino-4-methylpentyl)-N-methyl-4-(trifluoromethyl)benzamide
CID 81487190
N-(3-amino-4-methylpentyl)-4-[(2,5-dioxopyrrolidin-3-yl)methyl]-N-methylbenzamide;hydrochloride
CID 119659302
2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]-propan-2-ylamino]acetic acid
CID 120581023
N-(3-amino-4-methylpentyl)-4-[ethyl(propyl)amino]-N-methylbenzamide;dihydrochloride
CID 119657613
N-(3-amino-4-methylpentyl)-1-[(4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide
CID 119659743
4-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 123169079
ethane;4-[(4-methylpiperazin-1-yl)methyl]benzoic acid
CID 143662062

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride (CID 119657579) is N-(3-amino-4-methylpentyl)-N-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride is CC(C)C(N)CCN(C)C(=O)c1ccc(CN2CCN(C)CC2)cc1.Cl.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride?
The InChIKey is UNVVYSODTIAVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O.2ClH/c1-16(2)19(21)9-10-23(4)20(25)18-7-5-17(6-8-18)15-24-13-11-22(3)12-14-24;;/h5-8,16,19H,9-15,21H2,1-4H3;2*1H.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride?
N-(3-amino-4-methylpentyl)-N-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride has a molecular weight of 419.44 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride is sourced from PubChem (CID 119657579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).