2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-(2-pyridin-2-ylethyl)benzamide;2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)benzamide;2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide

C88H94F3N11O9 — CID 158261932

About 2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-(2-pyridin-2-ylethyl)benzamide;2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)benzamide;2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide

2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-(2-pyridin-2-ylethyl)benzamide;2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)benzamide;2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide (PubChem CID 158261932) has the molecular formula C88H94F3N11O9 and a molecular weight of 1506.78 g/mol. Its IUPAC name is 2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-(2-pyridin-2-ylethyl)benzamide;2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)benzamide;2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide.

Molecular Properties

• Compound Name: 2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-(2-pyridin-2-ylethyl)benzamide;2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)benzamide;2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
• PubChem CID: 158261932
• Molecular Formula: C88H94F3N11O9
• Molecular Weight: 1506.78 g/mol
• Exact Mass: 1505.72
• IUPAC Name: 2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-(2-pyridin-2-ylethyl)benzamide;2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)benzamide;2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
• SMILES: O=C(NCCc1ccc(C(F)(F)F)cc1)c1ccccc1C1CCN(CCN2C(=O)COc3ccccc32)CC1.O=C(NCCc1ccccn1)c1ccccc1C1CCN(CCN2C(=O)COc3ccccc32)CC1.O=C(NCc1ccccn1)c1ccccc1C1CCN(CCN2C(=O)COc3ccccc32)CC1
• InChI: InChI=1S/C31H32F3N3O3.C29H32N4O3.C28H30N4O3/c32-31(33,34)24-11-9-22(10-12-24)13-16-35-30(39)26-6-2-1-5-25(26)23-14-17-36(18-15-23)19-20-37-27-7-3-4-8-28(27)40-21-29(37)38;34-28-21-36-27-11-4-3-10-26(27)33(28)20-19-32-17-13-22(14-18-32)24-8-1-2-9-25(24)29(35)31-16-12-23-7-5-6-15-30-23;33-27-20-35-26-11-4-3-10-25(26)32(27)18-17-31-15-12-21(13-16-31)23-8-1-2-9-24(23)28(34)30-19-22-7-5-6-14-29-22/h1-12,23H,13-21H2,(H,35,39);1-11,15,22H,12-14,16-21H2,(H,31,35);1-11,14,21H,12-13,15-20H2,(H,30,34)
• InChIKey: GHYYJAJIIOBPCQ-UHFFFAOYSA-N
• XLogP: 12.56
• TPSA: 211.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 23
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1506.78
LogP ≤ 5	12.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-(2-pyridin-2-ylethyl)benzamide;2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)benzamide;2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?

The IUPAC name of 2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-(2-pyridin-2-ylethyl)benzamide;2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)benzamide;2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide (CID 158261932) is 2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-(2-pyridin-2-ylethyl)benzamide;2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)benzamide;2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide.

What is the SMILES notation for 2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-(2-pyridin-2-ylethyl)benzamide;2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)benzamide;2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?

The canonical SMILES for 2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-(2-pyridin-2-ylethyl)benzamide;2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)benzamide;2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide is O=C(NCCc1ccc(C(F)(F)F)cc1)c1ccccc1C1CCN(CCN2C(=O)COc3ccccc32)CC1.O=C(NCCc1ccccn1)c1ccccc1C1CCN(CCN2C(=O)COc3ccccc32)CC1.O=C(NCc1ccccn1)c1ccccc1C1CCN(CCN2C(=O)COc3ccccc32)CC1.

What is the InChIKey of 2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-(2-pyridin-2-ylethyl)benzamide;2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)benzamide;2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?

The InChIKey is GHYYJAJIIOBPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32F3N3O3.C29H32N4O3.C28H30N4O3/c32-31(33,34)24-11-9-22(10-12-24)13-16-35-30(39)26-6-2-1-5-25(26)23-14-17-36(18-15-23)19-20-37-27-7-3-4-8-28(27)40-21-29(37)38;34-28-21-36-27-11-4-3-10-26(27)33(28)20-19-32-17-13-22(14-18-32)24-8-1-2-9-25(24)29(35)31-16-12-23-7-5-6-15-30-23;33-27-20-35-26-11-4-3-10-25(26)32(27)18-17-31-15-12-21(13-16-31)23-8-1-2-9-24(23)28(34)30-19-22-7-5-6-14-29-22/h1-12,23H,13-21H2,(H,35,39);1-11,15,22H,12-14,16-21H2,(H,31,35);1-11,14,21H,12-13,15-20H2,(H,30,34).

What are the key properties of 2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-(2-pyridin-2-ylethyl)benzamide;2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)benzamide;2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?

2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-(2-pyridin-2-ylethyl)benzamide;2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)benzamide;2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide has a molecular weight of 1506.78 g/mol, XLogP of 12.56, 23 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-(2-pyridin-2-ylethyl)benzamide;2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)benzamide;2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 158261932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).