2-[4-(2-methylphenoxy)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C20H28N4O2 — CID 46979410

IUPAC2-[4-(2-methylphenoxy)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1ccccc1OC1CCN(CC(=O)Nc2c(C)nn(C)c2C)CC1
InChIInChI=1S/C20H28N4O2/c1-14-7-5-6-8-18(14)26-17-9-11-24(12-10-17)13-19(25)21-20-15(2)22-23(4)16(20)3/h5-8,17H,9-13H2,1-4H3,(H,21,25)
InChIKeyLQKBXDHLWIMJSI-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.83
Rot. Bonds5

About 2-[4-(2-methylphenoxy)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-[4-(2-methylphenoxy)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 46979410) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-[4-(2-methylphenoxy)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[4-(2-methylphenoxy)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID46979410
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name2-[4-(2-methylphenoxy)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1ccccc1OC1CCN(CC(=O)Nc2c(C)nn(C)c2C)CC1
InChIInChI=1S/C20H28N4O2/c1-14-7-5-6-8-18(14)26-17-9-11-24(12-10-17)13-19(25)21-20-15(2)22-23(4)16(20)3/h5-8,17H,9-13H2,1-4H3,(H,21,25)
InChIKeyLQKBXDHLWIMJSI-UHFFFAOYSA-N
XLogP2.83
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(2-methylphenoxy)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylphenoxy)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[4-(2-methylphenoxy)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 46979410) is 2-[4-(2-methylphenoxy)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[4-(2-methylphenoxy)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[4-(2-methylphenoxy)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1ccccc1OC1CCN(CC(=O)Nc2c(C)nn(C)c2C)CC1.
What is the InChIKey of 2-[4-(2-methylphenoxy)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is LQKBXDHLWIMJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-14-7-5-6-8-18(14)26-17-9-11-24(12-10-17)13-19(25)21-20-15(2)22-23(4)16(20)3/h5-8,17H,9-13H2,1-4H3,(H,21,25).
What are the key properties of 2-[4-(2-methylphenoxy)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-[4-(2-methylphenoxy)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 356.47 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylphenoxy)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 46979410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).