2-(2-methoxyphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide

C17H23N5O3 — CID 120641815

IUPAC2-(2-methoxyphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide
SMILESCOc1ccccc1OCC(=O)Nc1nc(C2CCNCC2)nn1C
InChIInChI=1S/C17H23N5O3/c1-22-17(20-16(21-22)12-7-9-18-10-8-12)19-15(23)11-25-14-6-4-3-5-13(14)24-2/h3-6,12,18H,7-11H2,1-2H3,(H,19,20,21,23)
InChIKeyNXJGGWNYHGSAND-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.31
Rot. Bonds6

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

2-(2-methoxyphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide (PubChem CID 120641815) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide
PubChem CID120641815
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name2-(2-methoxyphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide
SMILESCOc1ccccc1OCC(=O)Nc1nc(C2CCNCC2)nn1C
InChIInChI=1S/C17H23N5O3/c1-22-17(20-16(21-22)12-7-9-18-10-8-12)19-15(23)11-25-14-6-4-3-5-13(14)24-2/h3-6,12,18H,7-11H2,1-2H3,(H,19,20,21,23)
InChIKeyNXJGGWNYHGSAND-UHFFFAOYSA-N
XLogP1.31
TPSA90.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2,6-dimethylphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide
CID 120645086
2-hydroxy-3-methoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120644350
2-butoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide
CID 120642686
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
2-(3-ethylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride
CID 120643521
2-(1H-indol-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide
CID 120644506
4-(3-methylphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide
CID 120643222
3-(4-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide
CID 120642245
2-(2-methoxyphenoxy)-N-piperidin-4-ylacetamide
CID 28810945
3-(4-ethoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride
CID 120644136
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-(2-methoxyphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide (CID 120641815) is 2-(2-methoxyphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide is COc1ccccc1OCC(=O)Nc1nc(C2CCNCC2)nn1C.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide?
The InChIKey is NXJGGWNYHGSAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-22-17(20-16(21-22)12-7-9-18-10-8-12)19-15(23)11-25-14-6-4-3-5-13(14)24-2/h3-6,12,18H,7-11H2,1-2H3,(H,19,20,21,23).
What are the key properties of 2-(2-methoxyphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide?
2-(2-methoxyphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide has a molecular weight of 345.40 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 120641815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).