N-[2-(2,6-dimethylphenoxy)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide

C21H28N4O2 — CID 120755786

IUPACN-[2-(2,6-dimethylphenoxy)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
SMILESCc1cccc(C)c1OCCNC(=O)CN1CCNCC1c1cccnc1
InChIInChI=1S/C21H28N4O2/c1-16-5-3-6-17(2)21(16)27-12-10-24-20(26)15-25-11-9-23-14-19(25)18-7-4-8-22-13-18/h3-8,13,19,23H,9-12,14-15H2,1-2H3,(H,24,26)
InChIKeyIBSVAHOIYIXWTF-UHFFFAOYSA-N
MW368.48 g/mol
LogP1.84
Rot. Bonds7

About N-[2-(2,6-dimethylphenoxy)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide

N-[2-(2,6-dimethylphenoxy)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide (PubChem CID 120755786) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[2-(2,6-dimethylphenoxy)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylphenoxy)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
PubChem CID120755786
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-[2-(2,6-dimethylphenoxy)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
SMILESCc1cccc(C)c1OCCNC(=O)CN1CCNCC1c1cccnc1
InChIInChI=1S/C21H28N4O2/c1-16-5-3-6-17(2)21(16)27-12-10-24-20(26)15-25-11-9-23-14-19(25)18-7-4-8-22-13-18/h3-8,13,19,23H,9-12,14-15H2,1-2H3,(H,24,26)
InChIKeyIBSVAHOIYIXWTF-UHFFFAOYSA-N
XLogP1.84
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(2,6-dimethylphenoxy)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)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-[2-(4-ethoxyphenoxy)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755971
N-[2-(3-fluorophenoxy)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120754797
N-(2,6-dimethylphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755901
N-[(4-methylphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754234
N-benzyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755244
N-[(3-ethoxyphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755961
N-[2-(2-methoxyphenyl)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754400
N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120754481
2-(2-pyridin-3-ylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 120755838
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755646
N-(4-chloro-2-methylphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755860
N-(benzylcarbamoyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755361

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylphenoxy)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-[2-(2,6-dimethylphenoxy)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide (CID 120755786) is N-[2-(2,6-dimethylphenoxy)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[2-(2,6-dimethylphenoxy)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[2-(2,6-dimethylphenoxy)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide is Cc1cccc(C)c1OCCNC(=O)CN1CCNCC1c1cccnc1.
What is the InChIKey of N-[2-(2,6-dimethylphenoxy)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide?
The InChIKey is IBSVAHOIYIXWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-16-5-3-6-17(2)21(16)27-12-10-24-20(26)15-25-11-9-23-14-19(25)18-7-4-8-22-13-18/h3-8,13,19,23H,9-12,14-15H2,1-2H3,(H,24,26).
What are the key properties of N-[2-(2,6-dimethylphenoxy)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide?
N-[2-(2,6-dimethylphenoxy)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide has a molecular weight of 368.48 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylphenoxy)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 120755786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).