N-(2-benzoylphenyl)-2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride

C28H27Cl2N3O4 — CID 10459933

About N-(2-benzoylphenyl)-2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride

N-(2-benzoylphenyl)-2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride (PubChem CID 10459933) has the molecular formula C28H27Cl2N3O4 and a molecular weight of 540.45 g/mol. Its IUPAC name is N-(2-benzoylphenyl)-2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride.

Molecular Properties

• Compound Name: N-(2-benzoylphenyl)-2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride
• PubChem CID: 10459933
• Molecular Formula: C28H27Cl2N3O4
• Molecular Weight: 540.45 g/mol
• Exact Mass: 539.14
• IUPAC Name: N-(2-benzoylphenyl)-2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride
• SMILES: Cl.O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccccc1C(=O)c1ccccc1
• InChI: InChI=1S/C28H26ClN3O4.ClH/c29-21-10-11-25-20(16-21)18-36-28(35)32(25)22-12-14-31(15-13-22)17-26(33)30-24-9-5-4-8-23(24)27(34)19-6-2-1-3-7-19;/h1-11,16,22H,12-15,17-18H2,(H,30,33);1H
• InChIKey: RFWXBDIPZQRSAD-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	540.45
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoylphenyl)-2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride?

The IUPAC name of N-(2-benzoylphenyl)-2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride (CID 10459933) is N-(2-benzoylphenyl)-2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride.

What is the SMILES notation for N-(2-benzoylphenyl)-2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride?

The canonical SMILES for N-(2-benzoylphenyl)-2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride is Cl.O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccccc1C(=O)c1ccccc1.

What is the InChIKey of N-(2-benzoylphenyl)-2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride?

The InChIKey is RFWXBDIPZQRSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClN3O4.ClH/c29-21-10-11-25-20(16-21)18-36-28(35)32(25)22-12-14-31(15-13-22)17-26(33)30-24-9-5-4-8-23(24)27(34)19-6-2-1-3-7-19;/h1-11,16,22H,12-15,17-18H2,(H,30,33);1H.

What are the key properties of N-(2-benzoylphenyl)-2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride?

N-(2-benzoylphenyl)-2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride has a molecular weight of 540.45 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-benzoylphenyl)-2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 10459933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).