7-amino-N-[2-(4-methylpiperazin-1-yl)propyl]heptanamide;trihydrochloride

C15H35Cl3N4O — CID 119902835

IUPAC7-amino-N-[2-(4-methylpiperazin-1-yl)propyl]heptanamide;trihydrochloride
SMILESCC(CNC(=O)CCCCCCN)N1CCN(C)CC1.Cl.Cl.Cl
InChIInChI=1S/C15H32N4O.3ClH/c1-14(19-11-9-18(2)10-12-19)13-17-15(20)7-5-3-4-6-8-16;;;/h14H,3-13,16H2,1-2H3,(H,17,20);3*1H
InChIKeyUIHZPQHQOMLWAI-UHFFFAOYSA-N
MW393.83 g/mol
LogP1.91
Rot. Bonds9

About 7-amino-N-[2-(4-methylpiperazin-1-yl)propyl]heptanamide;trihydrochloride

7-amino-N-[2-(4-methylpiperazin-1-yl)propyl]heptanamide;trihydrochloride (PubChem CID 119902835) has the molecular formula C15H35Cl3N4O and a molecular weight of 393.83 g/mol. Its IUPAC name is 7-amino-N-[2-(4-methylpiperazin-1-yl)propyl]heptanamide;trihydrochloride.

Molecular Properties

Compound Name7-amino-N-[2-(4-methylpiperazin-1-yl)propyl]heptanamide;trihydrochloride
PubChem CID119902835
Molecular FormulaC15H35Cl3N4O
Molecular Weight393.83 g/mol
Exact Mass392.19
IUPAC Name7-amino-N-[2-(4-methylpiperazin-1-yl)propyl]heptanamide;trihydrochloride
SMILESCC(CNC(=O)CCCCCCN)N1CCN(C)CC1.Cl.Cl.Cl
InChIInChI=1S/C15H32N4O.3ClH/c1-14(19-11-9-18(2)10-12-19)13-17-15(20)7-5-3-4-6-8-16;;;/h14H,3-13,16H2,1-2H3,(H,17,20);3*1H
InChIKeyUIHZPQHQOMLWAI-UHFFFAOYSA-N
XLogP1.91
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-amino-N-[2-(4-methylpiperazin-1-yl)propyl]heptanamide;trihydrochloride 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

7-amino-N-[2-(4-methylpiperidin-1-yl)propyl]heptanamide;dihydrochloride
CID 119866531
6-amino-N-(2-methylpropyl)hexanamide
CID 24696940
7-amino-N-(2,3-dimethylbutyl)heptanamide;hydrochloride
CID 119796493
5-bromo-N-(2-pyrrolidin-1-ylpropyl)pentanamide
CID 107910399
7-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)heptanamide
CID 62060956
7-amino-N-(2-methylbutyl)heptanamide
CID 62693522
3-(2-aminophenyl)-N-[2-(4-methylpiperazin-1-yl)propyl]propanamide
CID 120613546
4-amino-N-(3-methyl-2-pyrrolidin-1-ylbutyl)butanamide
CID 61275431
7-amino-N-(2-hydroxy-3-methylpentyl)heptanamide;hydrochloride
CID 119784017
4-chloro-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide
CID 55204260
2-[(6-aminohexanoylamino)methyl]-3-methylbutanoic acid
CID 65224486
(2S)-2-amino-4-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]pentanamide
CID 119902872

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-(4-methylpiperazin-1-yl)propyl]heptanamide;trihydrochloride?
The IUPAC name of 7-amino-N-[2-(4-methylpiperazin-1-yl)propyl]heptanamide;trihydrochloride (CID 119902835) is 7-amino-N-[2-(4-methylpiperazin-1-yl)propyl]heptanamide;trihydrochloride.
What is the SMILES notation for 7-amino-N-[2-(4-methylpiperazin-1-yl)propyl]heptanamide;trihydrochloride?
The canonical SMILES for 7-amino-N-[2-(4-methylpiperazin-1-yl)propyl]heptanamide;trihydrochloride is CC(CNC(=O)CCCCCCN)N1CCN(C)CC1.Cl.Cl.Cl.
What is the InChIKey of 7-amino-N-[2-(4-methylpiperazin-1-yl)propyl]heptanamide;trihydrochloride?
The InChIKey is UIHZPQHQOMLWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O.3ClH/c1-14(19-11-9-18(2)10-12-19)13-17-15(20)7-5-3-4-6-8-16;;;/h14H,3-13,16H2,1-2H3,(H,17,20);3*1H.
What are the key properties of 7-amino-N-[2-(4-methylpiperazin-1-yl)propyl]heptanamide;trihydrochloride?
7-amino-N-[2-(4-methylpiperazin-1-yl)propyl]heptanamide;trihydrochloride has a molecular weight of 393.83 g/mol, XLogP of 1.91, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-(4-methylpiperazin-1-yl)propyl]heptanamide;trihydrochloride is sourced from PubChem (CID 119902835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).