N-(4-ethylphenyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide

C17H27N3O — CID 80547263

IUPACN-(4-ethylphenyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide
SMILESCCc1ccc(N(C)C(=O)C(C)(C)N2CCNCC2)cc1
InChIInChI=1S/C17H27N3O/c1-5-14-6-8-15(9-7-14)19(4)16(21)17(2,3)20-12-10-18-11-13-20/h6-9,18H,5,10-13H2,1-4H3
InChIKeyJEXHZVFHOFHVBN-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.90
Rot. Bonds4

About N-(4-ethylphenyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide

N-(4-ethylphenyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide (PubChem CID 80547263) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(4-ethylphenyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide
PubChem CID80547263
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-(4-ethylphenyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide
SMILESCCc1ccc(N(C)C(=O)C(C)(C)N2CCNCC2)cc1
InChIInChI=1S/C17H27N3O/c1-5-14-6-8-15(9-7-14)19(4)16(21)17(2,3)20-12-10-18-11-13-20/h6-9,18H,5,10-13H2,1-4H3
InChIKeyJEXHZVFHOFHVBN-UHFFFAOYSA-N
XLogP1.90
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-ethylphenyl)-N,2-dimethyl-2-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-(4-fluorophenyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide
CID 80550035
N,2-dimethyl-2-piperazin-1-yl-N-pyridin-3-ylpropanamide
CID 80550063
2-bromo-N-(4-ethylphenyl)-N,2-dimethylpropanamide
CID 114328563
N-methyl-N-(4-propylphenyl)piperazine-1-carboxamide
CID 115171520
N-(furan-3-ylmethyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide
CID 80548872
N,2-dimethyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)propanamide
CID 80548409
N,2-dimethyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylpropanamide
CID 80547402
4-[(4-ethylphenyl)-methylcarbamoyl]benzoic acid
CID 62004416
N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide
CID 80551052
N-[2-(dimethylamino)-2-oxoethyl]-N,2-dimethyl-2-piperazin-1-ylpropanamide
CID 80548281
2-carbamothioyl-2-ethyl-N-(4-ethylphenyl)-N-methylbutanamide
CID 62001882
N-(4-ethylphenyl)-N-methyl-2-oxopropanamide
CID 115175422

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide?
The IUPAC name of N-(4-ethylphenyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide (CID 80547263) is N-(4-ethylphenyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-(4-ethylphenyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-(4-ethylphenyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide is CCc1ccc(N(C)C(=O)C(C)(C)N2CCNCC2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide?
The InChIKey is JEXHZVFHOFHVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-5-14-6-8-15(9-7-14)19(4)16(21)17(2,3)20-12-10-18-11-13-20/h6-9,18H,5,10-13H2,1-4H3.
What are the key properties of N-(4-ethylphenyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide?
N-(4-ethylphenyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide has a molecular weight of 289.42 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 80547263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).