2-[4-(7-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(9-hydroxy-9H-fluoren-3-yl)acetamide

C28H26FN3O4 — CID 10096961

IUPAC2-[4-(7-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(9-hydroxy-9H-fluoren-3-yl)acetamide
SMILESO=C(CN1CCC(N2C(=O)OCc3ccc(F)cc32)CC1)Nc1ccc2c(c1)-c1ccccc1C2O
InChIInChI=1S/C28H26FN3O4/c29-18-6-5-17-16-36-28(35)32(25(17)13-18)20-9-11-31(12-10-20)15-26(33)30-19-7-8-23-24(14-19)21-3-1-2-4-22(21)27(23)34/h1-8,13-14,20,27,34H,9-12,15-16H2,(H,30,33)
InChIKeyLXBHBVQRDUGJIK-UHFFFAOYSA-N
MW487.53 g/mol
LogP4.45
Rot. Bonds4

About 2-[4-(7-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(9-hydroxy-9H-fluoren-3-yl)acetamide

2-[4-(7-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(9-hydroxy-9H-fluoren-3-yl)acetamide (PubChem CID 10096961) has the molecular formula C28H26FN3O4 and a molecular weight of 487.53 g/mol. Its IUPAC name is 2-[4-(7-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(9-hydroxy-9H-fluoren-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(7-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(9-hydroxy-9H-fluoren-3-yl)acetamide
PubChem CID10096961
Molecular FormulaC28H26FN3O4
Molecular Weight487.53 g/mol
Exact Mass487.19
IUPAC Name2-[4-(7-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(9-hydroxy-9H-fluoren-3-yl)acetamide
SMILESO=C(CN1CCC(N2C(=O)OCc3ccc(F)cc32)CC1)Nc1ccc2c(c1)-c1ccccc1C2O
InChIInChI=1S/C28H26FN3O4/c29-18-6-5-17-16-36-28(35)32(25(17)13-18)20-9-11-31(12-10-20)15-26(33)30-19-7-8-23-24(14-19)21-3-1-2-4-22(21)27(23)34/h1-8,13-14,20,27,34H,9-12,15-16H2,(H,30,33)
InChIKeyLXBHBVQRDUGJIK-UHFFFAOYSA-N
XLogP4.45
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.53
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(9-hydroxy-9H-fluoren-3-yl)acetamide?
The IUPAC name of 2-[4-(7-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(9-hydroxy-9H-fluoren-3-yl)acetamide (CID 10096961) is 2-[4-(7-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(9-hydroxy-9H-fluoren-3-yl)acetamide.
What is the SMILES notation for 2-[4-(7-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(9-hydroxy-9H-fluoren-3-yl)acetamide?
The canonical SMILES for 2-[4-(7-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(9-hydroxy-9H-fluoren-3-yl)acetamide is O=C(CN1CCC(N2C(=O)OCc3ccc(F)cc32)CC1)Nc1ccc2c(c1)-c1ccccc1C2O.
What is the InChIKey of 2-[4-(7-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(9-hydroxy-9H-fluoren-3-yl)acetamide?
The InChIKey is LXBHBVQRDUGJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN3O4/c29-18-6-5-17-16-36-28(35)32(25(17)13-18)20-9-11-31(12-10-20)15-26(33)30-19-7-8-23-24(14-19)21-3-1-2-4-22(21)27(23)34/h1-8,13-14,20,27,34H,9-12,15-16H2,(H,30,33).
What are the key properties of 2-[4-(7-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(9-hydroxy-9H-fluoren-3-yl)acetamide?
2-[4-(7-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(9-hydroxy-9H-fluoren-3-yl)acetamide has a molecular weight of 487.53 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(9-hydroxy-9H-fluoren-3-yl)acetamide is sourced from PubChem (CID 10096961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).