N-methyl-2-[4-[4-[2-[[2-[3-(4-methylpiperazin-1-yl)propoxy]acetyl]amino]ethyl]piperazin-1-yl]butoxy]acetamide

C23H46N6O4 — CID 134583067

IUPACN-methyl-2-[4-[4-[2-[[2-[3-(4-methylpiperazin-1-yl)propoxy]acetyl]amino]ethyl]piperazin-1-yl]butoxy]acetamide
SMILESCNC(=O)COCCCCN1CCN(CCNC(=O)COCCCN2CCN(C)CC2)CC1
InChIInChI=1S/C23H46N6O4/c1-24-22(30)20-32-18-4-3-7-27-14-16-29(17-15-27)9-6-25-23(31)21-33-19-5-8-28-12-10-26(2)11-13-28/h3-21H2,1-2H3,(H,24,30)(H,25,31)
InChIKeyYXFCUGWQLFHUBH-UHFFFAOYSA-N
MW470.66 g/mol
LogP-1.08
Rot. Bonds16

About N-methyl-2-[4-[4-[2-[[2-[3-(4-methylpiperazin-1-yl)propoxy]acetyl]amino]ethyl]piperazin-1-yl]butoxy]acetamide

N-methyl-2-[4-[4-[2-[[2-[3-(4-methylpiperazin-1-yl)propoxy]acetyl]amino]ethyl]piperazin-1-yl]butoxy]acetamide (PubChem CID 134583067) has the molecular formula C23H46N6O4 and a molecular weight of 470.66 g/mol. Its IUPAC name is N-methyl-2-[4-[4-[2-[[2-[3-(4-methylpiperazin-1-yl)propoxy]acetyl]amino]ethyl]piperazin-1-yl]butoxy]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[4-[2-[[2-[3-(4-methylpiperazin-1-yl)propoxy]acetyl]amino]ethyl]piperazin-1-yl]butoxy]acetamide
PubChem CID134583067
Molecular FormulaC23H46N6O4
Molecular Weight470.66 g/mol
Exact Mass470.36
IUPAC NameN-methyl-2-[4-[4-[2-[[2-[3-(4-methylpiperazin-1-yl)propoxy]acetyl]amino]ethyl]piperazin-1-yl]butoxy]acetamide
SMILESCNC(=O)COCCCCN1CCN(CCNC(=O)COCCCN2CCN(C)CC2)CC1
InChIInChI=1S/C23H46N6O4/c1-24-22(30)20-32-18-4-3-7-27-14-16-29(17-15-27)9-6-25-23(31)21-33-19-5-8-28-12-10-26(2)11-13-28/h3-21H2,1-2H3,(H,24,30)(H,25,31)
InChIKeyYXFCUGWQLFHUBH-UHFFFAOYSA-N
XLogP-1.08
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.66
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-methyl-2-[4-[4-[2-[[2-[3-(4-methylpiperazin-1-yl)propoxy]acetyl]amino]ethyl]piperazin-1-yl]butoxy]acetamide 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-methyl-2-[5-[4-[2-[[2-[4-(4-methylpiperidin-1-yl)butoxy]acetyl]amino]ethyl]piperidin-1-yl]pentoxy]acetamide
CID 147513426
6-(4-methoxybutoxy)-N-methylhexanamide;3-[4-(2-methoxyethoxy)butoxy]-N-methylpropanamide;5-[2-(2-methoxyethoxy)ethoxy]-N-methylpentanamide;8-(2-methoxyethoxy)-N-methyloctanamide;2-[5-(2-methoxyethoxy)pentoxy]-N-methylacetamide;4-[3-(2-methoxyethoxy)propoxy]-N-methylbutanamide;5-(5-methoxypentoxy)-N-methylpentanamide;7-(3-methoxypropoxy)-N-methylheptanamide;N-methyl-2-[4-(4-methylpiperazin-1-yl)butoxy]acetamide;N-methyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]acetamide;N-methyl-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]butoxy]acetamide;N-methyl-2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]acetamide;N-methyl-2-[3-[2-(4-methylpiperazin-1-yl)ethoxy]propoxy]acetamide;N-methyl-2-[5-(4-methylpiperazin-1-yl)pentoxy]acetamide;N-methyl-2-[3-(4-methylpiperazin-1-yl)propoxy]acetamide
CID 158097425
ethane;4-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]butanamide
CID 170620948
2-(methylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 60925043
1,4-bis(3-methoxypropyl)piperazine;1-[2-(4-methoxybutoxy)ethyl]-4-methylpiperazine;2-(4-methoxybutoxy)-N-methylacetamide;1-(4-methoxybutyl)-4-(2-methoxyethyl)piperazine;2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylacetamide;2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-methylacetamide;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-methylacetamide;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-methylacetamide;2-[2-(2-methoxyethoxy)ethoxy]-N-methylacetamide;2-(2-methoxyethoxy)-N-methylacetamide;4-(2-methoxyethoxy)-N-methylbutanamide;5-(2-methoxyethoxy)-N-methylpentanamide;3-(2-methoxyethoxy)-N-methylpropanamide;1-(7-methoxyheptyl)-4-methylpiperazine;methoxymethane;2-methoxy-N-methylacetamide;4-methoxy-N-methylbutanamide;7-methoxy-N-methylheptanamide;6-methoxy-N-methylhexanamide;5-methoxy-N-methylpentanamide;3-methoxy-N-methylpropanamide;2-(3-methoxypropoxy)-N-methylacetamide;4-(3-methoxypropoxy)-N-methylbutanamide;3-(3-methoxypropoxy)-N-methylpropanamide;1-methyl-4-[4-(4-methylpiperazin-1-yl)butyl]piperazine
CID 159751456
2-(2-methoxyethoxy)-N-(2-piperidin-1-ylethyl)acetamide
CID 113223173
1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]urea
CID 59006454
N-[3-(4-methylpiperazin-1-yl)propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604362
3-[2-(4-methylpiperazin-1-yl)ethylamino]-3-oxopropanoic acid
CID 62230217
2-[2-(4-methylpiperazin-1-yl)ethoxy]acetamide
CID 142386012
2-(2-methoxyethoxy)-N-(3-piperidin-1-ylpropyl)acetamide
CID 113220096
2-[2-[2-[5-[[2-(2-butoxyethoxy)acetyl]amino]pentoxy]ethoxy]ethoxy]-N-methylacetamide
CID 134582817

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[4-[2-[[2-[3-(4-methylpiperazin-1-yl)propoxy]acetyl]amino]ethyl]piperazin-1-yl]butoxy]acetamide?
The IUPAC name of N-methyl-2-[4-[4-[2-[[2-[3-(4-methylpiperazin-1-yl)propoxy]acetyl]amino]ethyl]piperazin-1-yl]butoxy]acetamide (CID 134583067) is N-methyl-2-[4-[4-[2-[[2-[3-(4-methylpiperazin-1-yl)propoxy]acetyl]amino]ethyl]piperazin-1-yl]butoxy]acetamide.
What is the SMILES notation for N-methyl-2-[4-[4-[2-[[2-[3-(4-methylpiperazin-1-yl)propoxy]acetyl]amino]ethyl]piperazin-1-yl]butoxy]acetamide?
The canonical SMILES for N-methyl-2-[4-[4-[2-[[2-[3-(4-methylpiperazin-1-yl)propoxy]acetyl]amino]ethyl]piperazin-1-yl]butoxy]acetamide is CNC(=O)COCCCCN1CCN(CCNC(=O)COCCCN2CCN(C)CC2)CC1.
What is the InChIKey of N-methyl-2-[4-[4-[2-[[2-[3-(4-methylpiperazin-1-yl)propoxy]acetyl]amino]ethyl]piperazin-1-yl]butoxy]acetamide?
The InChIKey is YXFCUGWQLFHUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46N6O4/c1-24-22(30)20-32-18-4-3-7-27-14-16-29(17-15-27)9-6-25-23(31)21-33-19-5-8-28-12-10-26(2)11-13-28/h3-21H2,1-2H3,(H,24,30)(H,25,31).
What are the key properties of N-methyl-2-[4-[4-[2-[[2-[3-(4-methylpiperazin-1-yl)propoxy]acetyl]amino]ethyl]piperazin-1-yl]butoxy]acetamide?
N-methyl-2-[4-[4-[2-[[2-[3-(4-methylpiperazin-1-yl)propoxy]acetyl]amino]ethyl]piperazin-1-yl]butoxy]acetamide has a molecular weight of 470.66 g/mol, XLogP of -1.08, 16 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[4-[2-[[2-[3-(4-methylpiperazin-1-yl)propoxy]acetyl]amino]ethyl]piperazin-1-yl]butoxy]acetamide is sourced from PubChem (CID 134583067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).