N-(4-benzoylphenyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide

C28H27N3O4 — CID 10096226

IUPACN-(4-benzoylphenyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C28H27N3O4/c32-26(29-23-12-10-21(11-13-23)27(33)20-6-2-1-3-7-20)18-30-16-14-24(15-17-30)31-25-9-5-4-8-22(25)19-35-28(31)34/h1-13,24H,14-19H2,(H,29,32)
InChIKeyHODVYAZVXJTHON-UHFFFAOYSA-N
MW469.54 g/mol
LogP4.48
Rot. Bonds6

About N-(4-benzoylphenyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide

N-(4-benzoylphenyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide (PubChem CID 10096226) has the molecular formula C28H27N3O4 and a molecular weight of 469.54 g/mol. Its IUPAC name is N-(4-benzoylphenyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-benzoylphenyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide
PubChem CID10096226
Molecular FormulaC28H27N3O4
Molecular Weight469.54 g/mol
Exact Mass469.20
IUPAC NameN-(4-benzoylphenyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C28H27N3O4/c32-26(29-23-12-10-21(11-13-23)27(33)20-6-2-1-3-7-20)18-30-16-14-24(15-17-30)31-25-9-5-4-8-22(25)19-35-28(31)34/h1-13,24H,14-19H2,(H,29,32)
InChIKeyHODVYAZVXJTHON-UHFFFAOYSA-N
XLogP4.48
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-benzoylphenyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(4-benzoylphenyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide (CID 10096226) is N-(4-benzoylphenyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(4-benzoylphenyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(4-benzoylphenyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide is O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of N-(4-benzoylphenyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide?
The InChIKey is HODVYAZVXJTHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O4/c32-26(29-23-12-10-21(11-13-23)27(33)20-6-2-1-3-7-20)18-30-16-14-24(15-17-30)31-25-9-5-4-8-22(25)19-35-28(31)34/h1-13,24H,14-19H2,(H,29,32).
What are the key properties of N-(4-benzoylphenyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide?
N-(4-benzoylphenyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide has a molecular weight of 469.54 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzoylphenyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 10096226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).