3-N-ethyl-3-N-methyl-1-N-(3-piperazin-1-ylpropyl)benzene-1,3-dicarboxamide

C18H28N4O2 — CID 119394571

IUPAC3-N-ethyl-3-N-methyl-1-N-(3-piperazin-1-ylpropyl)benzene-1,3-dicarboxamide
SMILESCCN(C)C(=O)c1cccc(C(=O)NCCCN2CCNCC2)c1
InChIInChI=1S/C18H28N4O2/c1-3-21(2)18(24)16-7-4-6-15(14-16)17(23)20-8-5-11-22-12-9-19-10-13-22/h4,6-7,14,19H,3,5,8-13H2,1-2H3,(H,20,23)
InChIKeyMUNNBRZYMLGLCW-UHFFFAOYSA-N
MW332.45 g/mol
LogP0.80
Rot. Bonds7

About 3-N-ethyl-3-N-methyl-1-N-(3-piperazin-1-ylpropyl)benzene-1,3-dicarboxamide

3-N-ethyl-3-N-methyl-1-N-(3-piperazin-1-ylpropyl)benzene-1,3-dicarboxamide (PubChem CID 119394571) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 3-N-ethyl-3-N-methyl-1-N-(3-piperazin-1-ylpropyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-ethyl-3-N-methyl-1-N-(3-piperazin-1-ylpropyl)benzene-1,3-dicarboxamide
PubChem CID119394571
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name3-N-ethyl-3-N-methyl-1-N-(3-piperazin-1-ylpropyl)benzene-1,3-dicarboxamide
SMILESCCN(C)C(=O)c1cccc(C(=O)NCCCN2CCNCC2)c1
InChIInChI=1S/C18H28N4O2/c1-3-21(2)18(24)16-7-4-6-15(14-16)17(23)20-8-5-11-22-12-9-19-10-13-22/h4,6-7,14,19H,3,5,8-13H2,1-2H3,(H,20,23)
InChIKeyMUNNBRZYMLGLCW-UHFFFAOYSA-N
XLogP0.80
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-N-ethyl-3-N-methyl-1-N-(3-piperazin-1-ylpropyl)benzene-1,3-dicarboxamide 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

1-N-(3-piperazin-1-ylpropyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 119392034
3-hydroxy-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443390
3-N-methyl-3-N-phenyl-1-N-(2-piperazin-1-ylethyl)benzene-1,3-dicarboxamide
CID 119446970
N-(3-piperazin-1-ylpropyl)-3-(propylsulfonylamino)benzamide;hydrochloride
CID 119393786
3-(3-methoxypropoxy)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119391567
4-[methyl(propyl)amino]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride
CID 119394671
4-[ethyl(propyl)amino]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119390940
3-N-ethyl-3-N-methyl-1-N-piperidin-4-ylbenzene-1,3-dicarboxamide
CID 119390450
4-(diethylsulfamoyl)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392771
3-(cyclopropanecarbonylamino)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392891
3-hydroxy-N-(2-piperazin-1-ylethyl)benzamide
CID 43600333
3-(cyclopropanecarbonylamino)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119392890

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-3-N-methyl-1-N-(3-piperazin-1-ylpropyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-ethyl-3-N-methyl-1-N-(3-piperazin-1-ylpropyl)benzene-1,3-dicarboxamide (CID 119394571) is 3-N-ethyl-3-N-methyl-1-N-(3-piperazin-1-ylpropyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-ethyl-3-N-methyl-1-N-(3-piperazin-1-ylpropyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-ethyl-3-N-methyl-1-N-(3-piperazin-1-ylpropyl)benzene-1,3-dicarboxamide is CCN(C)C(=O)c1cccc(C(=O)NCCCN2CCNCC2)c1.
What is the InChIKey of 3-N-ethyl-3-N-methyl-1-N-(3-piperazin-1-ylpropyl)benzene-1,3-dicarboxamide?
The InChIKey is MUNNBRZYMLGLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-3-21(2)18(24)16-7-4-6-15(14-16)17(23)20-8-5-11-22-12-9-19-10-13-22/h4,6-7,14,19H,3,5,8-13H2,1-2H3,(H,20,23).
What are the key properties of 3-N-ethyl-3-N-methyl-1-N-(3-piperazin-1-ylpropyl)benzene-1,3-dicarboxamide?
3-N-ethyl-3-N-methyl-1-N-(3-piperazin-1-ylpropyl)benzene-1,3-dicarboxamide has a molecular weight of 332.45 g/mol, XLogP of 0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-3-N-methyl-1-N-(3-piperazin-1-ylpropyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 119394571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).