N-(2,4-dimethylphenyl)-3-piperazin-1-ylpropanamide

C15H23N3O — CID 28807910

IUPACN-(2,4-dimethylphenyl)-3-piperazin-1-ylpropanamide
SMILESCc1ccc(NC(=O)CCN2CCNCC2)c(C)c1
InChIInChI=1S/C15H23N3O/c1-12-3-4-14(13(2)11-12)17-15(19)5-8-18-9-6-16-7-10-18/h3-4,11,16H,5-10H2,1-2H3,(H,17,19)
InChIKeyOHJLIJRYBIJUBY-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.54
Rot. Bonds4

About N-(2,4-dimethylphenyl)-3-piperazin-1-ylpropanamide

N-(2,4-dimethylphenyl)-3-piperazin-1-ylpropanamide (PubChem CID 28807910) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-piperazin-1-ylpropanamide
PubChem CID28807910
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-(2,4-dimethylphenyl)-3-piperazin-1-ylpropanamide
SMILESCc1ccc(NC(=O)CCN2CCNCC2)c(C)c1
InChIInChI=1S/C15H23N3O/c1-12-3-4-14(13(2)11-12)17-15(19)5-8-18-9-6-16-7-10-18/h3-4,11,16H,5-10H2,1-2H3,(H,17,19)
InChIKeyOHJLIJRYBIJUBY-UHFFFAOYSA-N
XLogP1.54
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2,4-dimethylphenyl)-3-piperazin-1-ylpropanamide 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-(2-methoxy-5-methylphenyl)-3-piperazin-1-ylpropanamide
CID 28807979
N-(2,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 109027327
3-(4-benzylpiperidin-1-yl)-N-(2,4-dimethylphenyl)propanamide
CID 109032554
1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064821
N-(2,4-dimethylphenyl)-3-(4-thiomorpholin-4-ylpiperidin-1-yl)propanamide
CID 91843408
N-(2,4-dimethylphenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 28507375
N-(2,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110857210
N-(2,4-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]-1,4-diazepan-1-yl]propanamide
CID 177374603
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dimethylphenyl)propanamide
CID 109031261
N-(2,4-dimethylphenyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 9467842
N-(2,4-dimethylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119916399
2-[4,7-bis(carboxymethyl)-10-[2-(2,4-dimethylanilino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 58121003

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-piperazin-1-ylpropanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-piperazin-1-ylpropanamide (CID 28807910) is N-(2,4-dimethylphenyl)-3-piperazin-1-ylpropanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-piperazin-1-ylpropanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-piperazin-1-ylpropanamide is Cc1ccc(NC(=O)CCN2CCNCC2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-piperazin-1-ylpropanamide?
The InChIKey is OHJLIJRYBIJUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12-3-4-14(13(2)11-12)17-15(19)5-8-18-9-6-16-7-10-18/h3-4,11,16H,5-10H2,1-2H3,(H,17,19).
What are the key properties of N-(2,4-dimethylphenyl)-3-piperazin-1-ylpropanamide?
N-(2,4-dimethylphenyl)-3-piperazin-1-ylpropanamide has a molecular weight of 261.37 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-piperazin-1-ylpropanamide is sourced from PubChem (CID 28807910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).