N-[(3-ethoxyphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride

C20H27ClN4O2 — CID 120755961

IUPACN-[(3-ethoxyphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
SMILESCCOc1cccc(CNC(=O)CN2CCNCC2c2cccnc2)c1.Cl
InChIInChI=1S/C20H26N4O2.ClH/c1-2-26-18-7-3-5-16(11-18)12-23-20(25)15-24-10-9-22-14-19(24)17-6-4-8-21-13-17;/h3-8,11,13,19,22H,2,9-10,12,14-15H2,1H3,(H,23,25);1H
InChIKeyDODIHJXZSSZIAQ-UHFFFAOYSA-N
MW390.92 g/mol
LogP2.16
Rot. Bonds7

About N-[(3-ethoxyphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride

N-[(3-ethoxyphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride (PubChem CID 120755961) has the molecular formula C20H27ClN4O2 and a molecular weight of 390.92 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
PubChem CID120755961
Molecular FormulaC20H27ClN4O2
Molecular Weight390.92 g/mol
Exact Mass390.18
IUPAC NameN-[(3-ethoxyphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
SMILESCCOc1cccc(CNC(=O)CN2CCNCC2c2cccnc2)c1.Cl
InChIInChI=1S/C20H26N4O2.ClH/c1-2-26-18-7-3-5-16(11-18)12-23-20(25)15-24-10-9-22-14-19(24)17-6-4-8-21-13-17;/h3-8,11,13,19,22H,2,9-10,12,14-15H2,1H3,(H,23,25);1H
InChIKeyDODIHJXZSSZIAQ-UHFFFAOYSA-N
XLogP2.16
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.92
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3-ethoxyphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride 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-benzyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755244
N-[(4-methylphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754234
2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride
CID 120758254
N-[2-(3-fluorophenoxy)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120754797
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755646
N-[2-(2,6-dimethylphenoxy)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755786
N-(benzylcarbamoyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755361
2-(2-pyridin-3-ylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 120755838
2-[2-(4-ethylphenyl)piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 120758267
N-[(1-phenylpyrazol-4-yl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754244
N-(2,6-dimethylphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755901

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride?
The IUPAC name of N-[(3-ethoxyphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride (CID 120755961) is N-[(3-ethoxyphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride is CCOc1cccc(CNC(=O)CN2CCNCC2c2cccnc2)c1.Cl.
What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride?
The InChIKey is DODIHJXZSSZIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2.ClH/c1-2-26-18-7-3-5-16(11-18)12-23-20(25)15-24-10-9-22-14-19(24)17-6-4-8-21-13-17;/h3-8,11,13,19,22H,2,9-10,12,14-15H2,1H3,(H,23,25);1H.
What are the key properties of N-[(3-ethoxyphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride?
N-[(3-ethoxyphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride has a molecular weight of 390.92 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 120755961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).