2-(3-ethylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride

C18H26ClN5O — CID 120643521

IUPAC2-(3-ethylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride
SMILESCCc1cccc(CC(=O)Nc2nc(C3CCNCC3)nn2C)c1.Cl
InChIInChI=1S/C18H25N5O.ClH/c1-3-13-5-4-6-14(11-13)12-16(24)20-18-21-17(22-23(18)2)15-7-9-19-10-8-15;/h4-6,11,15,19H,3,7-10,12H2,1-2H3,(H,20,21,22,24);1H
InChIKeyZEGJONQBIRWWFV-UHFFFAOYSA-N
MW363.89 g/mol
LogP2.45
Rot. Bonds5

About 2-(3-ethylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride

2-(3-ethylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride (PubChem CID 120643521) has the molecular formula C18H26ClN5O and a molecular weight of 363.89 g/mol. Its IUPAC name is 2-(3-ethylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(3-ethylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride
PubChem CID120643521
Molecular FormulaC18H26ClN5O
Molecular Weight363.89 g/mol
Exact Mass363.18
IUPAC Name2-(3-ethylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride
SMILESCCc1cccc(CC(=O)Nc2nc(C3CCNCC3)nn2C)c1.Cl
InChIInChI=1S/C18H25N5O.ClH/c1-3-13-5-4-6-14(11-13)12-16(24)20-18-21-17(22-23(18)2)15-7-9-19-10-8-15;/h4-6,11,15,19H,3,7-10,12H2,1-2H3,(H,20,21,22,24);1H
InChIKeyZEGJONQBIRWWFV-UHFFFAOYSA-N
XLogP2.45
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(3-ethylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-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-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 120642674
2-(4-ethoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride
CID 120642114
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-phenylpropanamide
CID 120642790
2-(3-bromo-4-fluorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide
CID 120643814
2-(4-bromo-2-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride
CID 120644142
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-propylsulfanylacetamide;hydrochloride
CID 120645027
2-(4-bromo-2-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide
CID 120644143
3-(methoxymethyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120643387
3-(3,5-dimethylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride
CID 120644988
2-(1H-indol-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide
CID 120644506
N-[2-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-2-oxoethyl]benzamide;hydrochloride
CID 120642991
2-(2,6-dimethylphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide
CID 120645086

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride?
The IUPAC name of 2-(3-ethylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride (CID 120643521) is 2-(3-ethylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(3-ethylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(3-ethylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride is CCc1cccc(CC(=O)Nc2nc(C3CCNCC3)nn2C)c1.Cl.
What is the InChIKey of 2-(3-ethylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride?
The InChIKey is ZEGJONQBIRWWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O.ClH/c1-3-13-5-4-6-14(11-13)12-16(24)20-18-21-17(22-23(18)2)15-7-9-19-10-8-15;/h4-6,11,15,19H,3,7-10,12H2,1-2H3,(H,20,21,22,24);1H.
What are the key properties of 2-(3-ethylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride?
2-(3-ethylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride has a molecular weight of 363.89 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride is sourced from PubChem (CID 120643521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).