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

C23H25N3O3 — CID 53323750

IUPAC2-[1-(4-acetylphenyl)piperidin-4-yl]-N-(4-methyl-1,3-benzoxazol-2-yl)acetamide
SMILESCC(=O)c1ccc(N2CCC(CC(=O)Nc3nc4c(C)cccc4o3)CC2)cc1
InChIInChI=1S/C23H25N3O3/c1-15-4-3-5-20-22(15)25-23(29-20)24-21(28)14-17-10-12-26(13-11-17)19-8-6-18(7-9-19)16(2)27/h3-9,17H,10-14H2,1-2H3,(H,24,25,28)
InChIKeyOXOYDPNHDFDIIN-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.58
Rot. Bonds5

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

2-[1-(4-acetylphenyl)piperidin-4-yl]-N-(4-methyl-1,3-benzoxazol-2-yl)acetamide (PubChem CID 53323750) 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-(4-methyl-1,3-benzoxazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-(4-acetylphenyl)piperidin-4-yl]-N-(4-methyl-1,3-benzoxazol-2-yl)acetamide
PubChem CID53323750
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name2-[1-(4-acetylphenyl)piperidin-4-yl]-N-(4-methyl-1,3-benzoxazol-2-yl)acetamide
SMILESCC(=O)c1ccc(N2CCC(CC(=O)Nc3nc4c(C)cccc4o3)CC2)cc1
InChIInChI=1S/C23H25N3O3/c1-15-4-3-5-20-22(15)25-23(29-20)24-21(28)14-17-10-12-26(13-11-17)19-8-6-18(7-9-19)16(2)27/h3-9,17H,10-14H2,1-2H3,(H,24,25,28)
InChIKeyOXOYDPNHDFDIIN-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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-acetylphenyl)piperidin-4-yl]-N-(4-methyl-1,3-benzoxazol-2-yl)acetamide?
The IUPAC name of 2-[1-(4-acetylphenyl)piperidin-4-yl]-N-(4-methyl-1,3-benzoxazol-2-yl)acetamide (CID 53323750) is 2-[1-(4-acetylphenyl)piperidin-4-yl]-N-(4-methyl-1,3-benzoxazol-2-yl)acetamide.
What is the SMILES notation for 2-[1-(4-acetylphenyl)piperidin-4-yl]-N-(4-methyl-1,3-benzoxazol-2-yl)acetamide?
The canonical SMILES for 2-[1-(4-acetylphenyl)piperidin-4-yl]-N-(4-methyl-1,3-benzoxazol-2-yl)acetamide is CC(=O)c1ccc(N2CCC(CC(=O)Nc3nc4c(C)cccc4o3)CC2)cc1.
What is the InChIKey of 2-[1-(4-acetylphenyl)piperidin-4-yl]-N-(4-methyl-1,3-benzoxazol-2-yl)acetamide?
The InChIKey is OXOYDPNHDFDIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-15-4-3-5-20-22(15)25-23(29-20)24-21(28)14-17-10-12-26(13-11-17)19-8-6-18(7-9-19)16(2)27/h3-9,17H,10-14H2,1-2H3,(H,24,25,28).
What are the key properties of 2-[1-(4-acetylphenyl)piperidin-4-yl]-N-(4-methyl-1,3-benzoxazol-2-yl)acetamide?
2-[1-(4-acetylphenyl)piperidin-4-yl]-N-(4-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-(4-methyl-1,3-benzoxazol-2-yl)acetamide is sourced from PubChem (CID 53323750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).