N-(2-methylphenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide

C15H21N3O2 — CID 108944390

IUPACN-(2-methylphenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
SMILESCc1ccccc1NC(=O)CC(=O)N1CCN(C)CC1
InChIInChI=1S/C15H21N3O2/c1-12-5-3-4-6-13(12)16-14(19)11-15(20)18-9-7-17(2)8-10-18/h3-6H,7-11H2,1-2H3,(H,16,19)
InChIKeyJPUJYXCZIPWLRV-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.10
Rot. Bonds3

About N-(2-methylphenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide

N-(2-methylphenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide (PubChem CID 108944390) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(2-methylphenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
PubChem CID108944390
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-(2-methylphenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
SMILESCc1ccccc1NC(=O)CC(=O)N1CCN(C)CC1
InChIInChI=1S/C15H21N3O2/c1-12-5-3-4-6-13(12)16-14(19)11-15(20)18-9-7-17(2)8-10-18/h3-6H,7-11H2,1-2H3,(H,16,19)
InChIKeyJPUJYXCZIPWLRV-UHFFFAOYSA-N
XLogP1.10
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-(2-methylphenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide 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

3-(4-benzylpiperazin-1-yl)-N-(2-methylphenyl)-3-oxopropanamide
CID 108949310
N-(4-bromo-2-methylphenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944464
N-(3-chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944418
N-(2,3-dimethylphenyl)-3-(4-formylpiperazin-1-yl)-3-oxopropanamide
CID 108944753
ethyl 4-[3-(2,3-dimethylanilino)-3-oxopropanoyl]piperazine-1-carboxylate
CID 108950321
3-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(2-methylphenyl)-3-oxopropanamide
CID 50970257
(2R)-4-(2-methylanilino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid
CID 7421951
3-oxo-N-(2-propan-2-ylphenyl)-3-pyrrolidin-1-ylpropanamide
CID 108942028
N-(2-methylphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134208
N-(2,3-dimethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
CID 108950685
N-(2-methylphenyl)-3-oxobutanamide
CID 7154
3-oxo-3-piperidin-1-yl-N-(2-propan-2-ylphenyl)propanamide
CID 108942407

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide?
The IUPAC name of N-(2-methylphenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide (CID 108944390) is N-(2-methylphenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide.
What is the SMILES notation for N-(2-methylphenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide?
The canonical SMILES for N-(2-methylphenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide is Cc1ccccc1NC(=O)CC(=O)N1CCN(C)CC1.
What is the InChIKey of N-(2-methylphenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide?
The InChIKey is JPUJYXCZIPWLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-12-5-3-4-6-13(12)16-14(19)11-15(20)18-9-7-17(2)8-10-18/h3-6H,7-11H2,1-2H3,(H,16,19).
What are the key properties of N-(2-methylphenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide?
N-(2-methylphenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide has a molecular weight of 275.35 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide is sourced from PubChem (CID 108944390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).