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

C19H28ClN5O2 — CID 120644136

IUPAC3-(4-ethoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride
SMILESCCOc1ccc(CCC(=O)Nc2nc(C3CCNCC3)nn2C)cc1.Cl
InChIInChI=1S/C19H27N5O2.ClH/c1-3-26-16-7-4-14(5-8-16)6-9-17(25)21-19-22-18(23-24(19)2)15-10-12-20-13-11-15;/h4-5,7-8,15,20H,3,6,9-13H2,1-2H3,(H,21,22,23,25);1H
InChIKeyXIKMDCLZFUYTHC-UHFFFAOYSA-N
MW393.92 g/mol
LogP2.67
Rot. Bonds7

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

3-(4-ethoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride (PubChem CID 120644136) has the molecular formula C19H28ClN5O2 and a molecular weight of 393.92 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride
PubChem CID120644136
Molecular FormulaC19H28ClN5O2
Molecular Weight393.92 g/mol
Exact Mass393.19
IUPAC Name3-(4-ethoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride
SMILESCCOc1ccc(CCC(=O)Nc2nc(C3CCNCC3)nn2C)cc1.Cl
InChIInChI=1S/C19H27N5O2.ClH/c1-3-26-16-7-4-14(5-8-16)6-9-17(25)21-19-22-18(23-24(19)2)15-10-12-20-13-11-15;/h4-5,7-8,15,20H,3,6,9-13H2,1-2H3,(H,21,22,23,25);1H
InChIKeyXIKMDCLZFUYTHC-UHFFFAOYSA-N
XLogP2.67
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 120644292
2-(4-ethoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride
CID 120642114
3-(4-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide
CID 120642245
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-phenylpropanamide
CID 120642790
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-(4-propan-2-ylphenyl)propanamide
CID 120643034
3-(furan-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide
CID 120644600
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-(1,3-thiazol-4-yl)propanamide;hydrochloride
CID 120644530
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-4-propylbenzamide;hydrochloride
CID 120644118
4-(2,4-dimethoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide;hydrochloride
CID 120644318
4-methoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide;hydrochloride
CID 120642134
4-(4-chloro-3-methylphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide;hydrochloride
CID 120644460
4-(3-fluorophenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide;hydrochloride
CID 120645023

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride?
The IUPAC name of 3-(4-ethoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride (CID 120644136) is 3-(4-ethoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride.
What is the SMILES notation for 3-(4-ethoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride?
The canonical SMILES for 3-(4-ethoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride is CCOc1ccc(CCC(=O)Nc2nc(C3CCNCC3)nn2C)cc1.Cl.
What is the InChIKey of 3-(4-ethoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride?
The InChIKey is XIKMDCLZFUYTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2.ClH/c1-3-26-16-7-4-14(5-8-16)6-9-17(25)21-19-22-18(23-24(19)2)15-10-12-20-13-11-15;/h4-5,7-8,15,20H,3,6,9-13H2,1-2H3,(H,21,22,23,25);1H.
What are the key properties of 3-(4-ethoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride?
3-(4-ethoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride has a molecular weight of 393.92 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride is sourced from PubChem (CID 120644136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).