2-[4-[2-oxo-7-(trifluoromethyl)-4H-3,1-benzoxazin-1-yl]piperidin-1-yl]-N-(4-phenoxyphenyl)acetamide

C28H26F3N3O4 — CID 22063078

IUPAC2-[4-[2-oxo-7-(trifluoromethyl)-4H-3,1-benzoxazin-1-yl]piperidin-1-yl]-N-(4-phenoxyphenyl)acetamide
SMILESO=C(CN1CCC(N2C(=O)OCc3ccc(C(F)(F)F)cc32)CC1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C28H26F3N3O4/c29-28(30,31)20-7-6-19-18-37-27(36)34(25(19)16-20)22-12-14-33(15-13-22)17-26(35)32-21-8-10-24(11-9-21)38-23-4-2-1-3-5-23/h1-11,16,22H,12-15,17-18H2,(H,32,35)
InChIKeyYUQTUQPSLYYNMW-UHFFFAOYSA-N
MW525.53 g/mol
LogP6.06
Rot. Bonds6

About 2-[4-[2-oxo-7-(trifluoromethyl)-4H-3,1-benzoxazin-1-yl]piperidin-1-yl]-N-(4-phenoxyphenyl)acetamide

2-[4-[2-oxo-7-(trifluoromethyl)-4H-3,1-benzoxazin-1-yl]piperidin-1-yl]-N-(4-phenoxyphenyl)acetamide (PubChem CID 22063078) has the molecular formula C28H26F3N3O4 and a molecular weight of 525.53 g/mol. Its IUPAC name is 2-[4-[2-oxo-7-(trifluoromethyl)-4H-3,1-benzoxazin-1-yl]piperidin-1-yl]-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-oxo-7-(trifluoromethyl)-4H-3,1-benzoxazin-1-yl]piperidin-1-yl]-N-(4-phenoxyphenyl)acetamide
PubChem CID22063078
Molecular FormulaC28H26F3N3O4
Molecular Weight525.53 g/mol
Exact Mass525.19
IUPAC Name2-[4-[2-oxo-7-(trifluoromethyl)-4H-3,1-benzoxazin-1-yl]piperidin-1-yl]-N-(4-phenoxyphenyl)acetamide
SMILESO=C(CN1CCC(N2C(=O)OCc3ccc(C(F)(F)F)cc32)CC1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C28H26F3N3O4/c29-28(30,31)20-7-6-19-18-37-27(36)34(25(19)16-20)22-12-14-33(15-13-22)17-26(35)32-21-8-10-24(11-9-21)38-23-4-2-1-3-5-23/h1-11,16,22H,12-15,17-18H2,(H,32,35)
InChIKeyYUQTUQPSLYYNMW-UHFFFAOYSA-N
XLogP6.06
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.53
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[2-oxo-7-(trifluoromethyl)-4H-3,1-benzoxazin-1-yl]piperidin-1-yl]-N-(4-phenoxyphenyl)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-[4-[2-oxo-7-(trifluoromethyl)-4H-3,1-benzoxazin-1-yl]piperidin-1-yl]-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-[4-[2-oxo-7-(trifluoromethyl)-4H-3,1-benzoxazin-1-yl]piperidin-1-yl]-N-(4-phenoxyphenyl)acetamide (CID 22063078) is 2-[4-[2-oxo-7-(trifluoromethyl)-4H-3,1-benzoxazin-1-yl]piperidin-1-yl]-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-[2-oxo-7-(trifluoromethyl)-4H-3,1-benzoxazin-1-yl]piperidin-1-yl]-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[4-[2-oxo-7-(trifluoromethyl)-4H-3,1-benzoxazin-1-yl]piperidin-1-yl]-N-(4-phenoxyphenyl)acetamide is O=C(CN1CCC(N2C(=O)OCc3ccc(C(F)(F)F)cc32)CC1)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-[4-[2-oxo-7-(trifluoromethyl)-4H-3,1-benzoxazin-1-yl]piperidin-1-yl]-N-(4-phenoxyphenyl)acetamide?
The InChIKey is YUQTUQPSLYYNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F3N3O4/c29-28(30,31)20-7-6-19-18-37-27(36)34(25(19)16-20)22-12-14-33(15-13-22)17-26(35)32-21-8-10-24(11-9-21)38-23-4-2-1-3-5-23/h1-11,16,22H,12-15,17-18H2,(H,32,35).
What are the key properties of 2-[4-[2-oxo-7-(trifluoromethyl)-4H-3,1-benzoxazin-1-yl]piperidin-1-yl]-N-(4-phenoxyphenyl)acetamide?
2-[4-[2-oxo-7-(trifluoromethyl)-4H-3,1-benzoxazin-1-yl]piperidin-1-yl]-N-(4-phenoxyphenyl)acetamide has a molecular weight of 525.53 g/mol, XLogP of 6.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-oxo-7-(trifluoromethyl)-4H-3,1-benzoxazin-1-yl]piperidin-1-yl]-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 22063078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).