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

C18H26ClN5O2 — CID 120642114

IUPAC2-(4-ethoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride
SMILESCCOc1ccc(CC(=O)Nc2nc(C3CCNCC3)nn2C)cc1.Cl
InChIInChI=1S/C18H25N5O2.ClH/c1-3-25-15-6-4-13(5-7-15)12-16(24)20-18-21-17(22-23(18)2)14-8-10-19-11-9-14;/h4-7,14,19H,3,8-12H2,1-2H3,(H,20,21,22,24);1H
InChIKeyBFBLWGUUDQMCJB-UHFFFAOYSA-N
MW379.89 g/mol
LogP2.28
Rot. Bonds6

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

2-(4-ethoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride (PubChem CID 120642114) has the molecular formula C18H26ClN5O2 and a molecular weight of 379.89 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride
PubChem CID120642114
Molecular FormulaC18H26ClN5O2
Molecular Weight379.89 g/mol
Exact Mass379.18
IUPAC Name2-(4-ethoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride
SMILESCCOc1ccc(CC(=O)Nc2nc(C3CCNCC3)nn2C)cc1.Cl
InChIInChI=1S/C18H25N5O2.ClH/c1-3-25-15-6-4-13(5-7-15)12-16(24)20-18-21-17(22-23(18)2)14-8-10-19-11-9-14;/h4-7,14,19H,3,8-12H2,1-2H3,(H,20,21,22,24);1H
InChIKeyBFBLWGUUDQMCJB-UHFFFAOYSA-N
XLogP2.28
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-ethoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride
CID 120644136
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 120644292
2-(3-ethylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride
CID 120643521
2-(3-bromo-4-fluorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide
CID 120643814
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 120642674
3-(4-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide
CID 120642245
5-[(4-fluorophenoxy)methyl]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide;hydrochloride
CID 120643491
2-butoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide
CID 120642686
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-4-propylbenzamide;hydrochloride
CID 120644118
2-(4-bromo-2-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride
CID 120644142
2-(1H-indol-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide
CID 120644506
3-(4-methoxyphenyl)-2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide
CID 120642069

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride?
The IUPAC name of 2-(4-ethoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride (CID 120642114) is 2-(4-ethoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride is CCOc1ccc(CC(=O)Nc2nc(C3CCNCC3)nn2C)cc1.Cl.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride?
The InChIKey is BFBLWGUUDQMCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2.ClH/c1-3-25-15-6-4-13(5-7-15)12-16(24)20-18-21-17(22-23(18)2)14-8-10-19-11-9-14;/h4-7,14,19H,3,8-12H2,1-2H3,(H,20,21,22,24);1H.
What are the key properties of 2-(4-ethoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride?
2-(4-ethoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride has a molecular weight of 379.89 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride is sourced from PubChem (CID 120642114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).