2-[1-(4-acetylphenyl)piperidin-4-yl]-N-(1,3-benzoxazol-2-yl)acetamide

C22H23N3O3 — CID 53320979

IUPAC2-[1-(4-acetylphenyl)piperidin-4-yl]-N-(1,3-benzoxazol-2-yl)acetamide
SMILESCC(=O)c1ccc(N2CCC(CC(=O)Nc3nc4ccccc4o3)CC2)cc1
InChIInChI=1S/C22H23N3O3/c1-15(26)17-6-8-18(9-7-17)25-12-10-16(11-13-25)14-21(27)24-22-23-19-4-2-3-5-20(19)28-22/h2-9,16H,10-14H2,1H3,(H,23,24,27)
InChIKeySHUCHZMLQBQERM-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.28
Rot. Bonds5

About 2-[1-(4-acetylphenyl)piperidin-4-yl]-N-(1,3-benzoxazol-2-yl)acetamide

2-[1-(4-acetylphenyl)piperidin-4-yl]-N-(1,3-benzoxazol-2-yl)acetamide (PubChem CID 53320979) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-[1-(4-acetylphenyl)piperidin-4-yl]-N-(1,3-benzoxazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-(4-acetylphenyl)piperidin-4-yl]-N-(1,3-benzoxazol-2-yl)acetamide
PubChem CID53320979
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name2-[1-(4-acetylphenyl)piperidin-4-yl]-N-(1,3-benzoxazol-2-yl)acetamide
SMILESCC(=O)c1ccc(N2CCC(CC(=O)Nc3nc4ccccc4o3)CC2)cc1
InChIInChI=1S/C22H23N3O3/c1-15(26)17-6-8-18(9-7-17)25-12-10-16(11-13-25)14-21(27)24-22-23-19-4-2-3-5-20(19)28-22/h2-9,16H,10-14H2,1H3,(H,23,24,27)
InChIKeySHUCHZMLQBQERM-UHFFFAOYSA-N
XLogP4.28
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(4-acetylphenyl)piperidin-4-yl]-N-(1,3-benzoxazol-2-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-[1-(4-acetylphenyl)piperidin-4-yl]-N-(1,3-benzoxazol-2-yl)acetamide?
The IUPAC name of 2-[1-(4-acetylphenyl)piperidin-4-yl]-N-(1,3-benzoxazol-2-yl)acetamide (CID 53320979) is 2-[1-(4-acetylphenyl)piperidin-4-yl]-N-(1,3-benzoxazol-2-yl)acetamide.
What is the SMILES notation for 2-[1-(4-acetylphenyl)piperidin-4-yl]-N-(1,3-benzoxazol-2-yl)acetamide?
The canonical SMILES for 2-[1-(4-acetylphenyl)piperidin-4-yl]-N-(1,3-benzoxazol-2-yl)acetamide is CC(=O)c1ccc(N2CCC(CC(=O)Nc3nc4ccccc4o3)CC2)cc1.
What is the InChIKey of 2-[1-(4-acetylphenyl)piperidin-4-yl]-N-(1,3-benzoxazol-2-yl)acetamide?
The InChIKey is SHUCHZMLQBQERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-15(26)17-6-8-18(9-7-17)25-12-10-16(11-13-25)14-21(27)24-22-23-19-4-2-3-5-20(19)28-22/h2-9,16H,10-14H2,1H3,(H,23,24,27).
What are the key properties of 2-[1-(4-acetylphenyl)piperidin-4-yl]-N-(1,3-benzoxazol-2-yl)acetamide?
2-[1-(4-acetylphenyl)piperidin-4-yl]-N-(1,3-benzoxazol-2-yl)acetamide has a molecular weight of 377.44 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-acetylphenyl)piperidin-4-yl]-N-(1,3-benzoxazol-2-yl)acetamide is sourced from PubChem (CID 53320979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).