2-[1-(4-acetylphenyl)piperidin-4-yl]-N-(6-methyl-1,3-benzoxazol-2-yl)acetamide

C23H25N3O3 — CID 53322321

IUPAC2-[1-(4-acetylphenyl)piperidin-4-yl]-N-(6-methyl-1,3-benzoxazol-2-yl)acetamide
SMILESCC(=O)c1ccc(N2CCC(CC(=O)Nc3nc4ccc(C)cc4o3)CC2)cc1
InChIInChI=1S/C23H25N3O3/c1-15-3-8-20-21(13-15)29-23(24-20)25-22(28)14-17-9-11-26(12-10-17)19-6-4-18(5-7-19)16(2)27/h3-8,13,17H,9-12,14H2,1-2H3,(H,24,25,28)
InChIKeyMCWBAFYMJKHMQM-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.58
Rot. Bonds5

About 2-[1-(4-acetylphenyl)piperidin-4-yl]-N-(6-methyl-1,3-benzoxazol-2-yl)acetamide

2-[1-(4-acetylphenyl)piperidin-4-yl]-N-(6-methyl-1,3-benzoxazol-2-yl)acetamide (PubChem CID 53322321) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-[1-(4-acetylphenyl)piperidin-4-yl]-N-(6-methyl-1,3-benzoxazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-(4-acetylphenyl)piperidin-4-yl]-N-(6-methyl-1,3-benzoxazol-2-yl)acetamide
PubChem CID53322321
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name2-[1-(4-acetylphenyl)piperidin-4-yl]-N-(6-methyl-1,3-benzoxazol-2-yl)acetamide
SMILESCC(=O)c1ccc(N2CCC(CC(=O)Nc3nc4ccc(C)cc4o3)CC2)cc1
InChIInChI=1S/C23H25N3O3/c1-15-3-8-20-21(13-15)29-23(24-20)25-22(28)14-17-9-11-26(12-10-17)19-6-4-18(5-7-19)16(2)27/h3-8,13,17H,9-12,14H2,1-2H3,(H,24,25,28)
InChIKeyMCWBAFYMJKHMQM-UHFFFAOYSA-N
XLogP4.58
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(4-acetylphenyl)piperidin-4-yl]-N-(6-methyl-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-(6-methyl-1,3-benzoxazol-2-yl)acetamide?
The IUPAC name of 2-[1-(4-acetylphenyl)piperidin-4-yl]-N-(6-methyl-1,3-benzoxazol-2-yl)acetamide (CID 53322321) is 2-[1-(4-acetylphenyl)piperidin-4-yl]-N-(6-methyl-1,3-benzoxazol-2-yl)acetamide.
What is the SMILES notation for 2-[1-(4-acetylphenyl)piperidin-4-yl]-N-(6-methyl-1,3-benzoxazol-2-yl)acetamide?
The canonical SMILES for 2-[1-(4-acetylphenyl)piperidin-4-yl]-N-(6-methyl-1,3-benzoxazol-2-yl)acetamide is CC(=O)c1ccc(N2CCC(CC(=O)Nc3nc4ccc(C)cc4o3)CC2)cc1.
What is the InChIKey of 2-[1-(4-acetylphenyl)piperidin-4-yl]-N-(6-methyl-1,3-benzoxazol-2-yl)acetamide?
The InChIKey is MCWBAFYMJKHMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-15-3-8-20-21(13-15)29-23(24-20)25-22(28)14-17-9-11-26(12-10-17)19-6-4-18(5-7-19)16(2)27/h3-8,13,17H,9-12,14H2,1-2H3,(H,24,25,28).
What are the key properties of 2-[1-(4-acetylphenyl)piperidin-4-yl]-N-(6-methyl-1,3-benzoxazol-2-yl)acetamide?
2-[1-(4-acetylphenyl)piperidin-4-yl]-N-(6-methyl-1,3-benzoxazol-2-yl)acetamide has a molecular weight of 391.47 g/mol, XLogP of 4.58, 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-(6-methyl-1,3-benzoxazol-2-yl)acetamide is sourced from PubChem (CID 53322321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).