2-[4-(6-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(9-oxofluoren-3-yl)acetamide

C29H27N3O5 — CID 10435973

IUPAC2-[4-(6-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(9-oxofluoren-3-yl)acetamide
SMILESCOc1ccc2c(c1)COC(=O)N2C1CCN(CC(=O)Nc2ccc3c(c2)-c2ccccc2C3=O)CC1
InChIInChI=1S/C29H27N3O5/c1-36-21-7-9-26-18(14-21)17-37-29(35)32(26)20-10-12-31(13-11-20)16-27(33)30-19-6-8-24-25(15-19)22-4-2-3-5-23(22)28(24)34/h2-9,14-15,20H,10-13,16-17H2,1H3,(H,30,33)
InChIKeyWOCJHCNNNJXIHN-UHFFFAOYSA-N
MW497.55 g/mol
LogP4.47
Rot. Bonds5

About 2-[4-(6-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(9-oxofluoren-3-yl)acetamide

2-[4-(6-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(9-oxofluoren-3-yl)acetamide (PubChem CID 10435973) has the molecular formula C29H27N3O5 and a molecular weight of 497.55 g/mol. Its IUPAC name is 2-[4-(6-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(9-oxofluoren-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(6-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(9-oxofluoren-3-yl)acetamide
PubChem CID10435973
Molecular FormulaC29H27N3O5
Molecular Weight497.55 g/mol
Exact Mass497.20
IUPAC Name2-[4-(6-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(9-oxofluoren-3-yl)acetamide
SMILESCOc1ccc2c(c1)COC(=O)N2C1CCN(CC(=O)Nc2ccc3c(c2)-c2ccccc2C3=O)CC1
InChIInChI=1S/C29H27N3O5/c1-36-21-7-9-26-18(14-21)17-37-29(35)32(26)20-10-12-31(13-11-20)16-27(33)30-19-6-8-24-25(15-19)22-4-2-3-5-23(22)28(24)34/h2-9,14-15,20H,10-13,16-17H2,1H3,(H,30,33)
InChIKeyWOCJHCNNNJXIHN-UHFFFAOYSA-N
XLogP4.47
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.55
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(6-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(9-oxofluoren-3-yl)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-(6-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(9-oxofluoren-3-yl)acetamide?
The IUPAC name of 2-[4-(6-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(9-oxofluoren-3-yl)acetamide (CID 10435973) is 2-[4-(6-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(9-oxofluoren-3-yl)acetamide.
What is the SMILES notation for 2-[4-(6-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(9-oxofluoren-3-yl)acetamide?
The canonical SMILES for 2-[4-(6-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(9-oxofluoren-3-yl)acetamide is COc1ccc2c(c1)COC(=O)N2C1CCN(CC(=O)Nc2ccc3c(c2)-c2ccccc2C3=O)CC1.
What is the InChIKey of 2-[4-(6-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(9-oxofluoren-3-yl)acetamide?
The InChIKey is WOCJHCNNNJXIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O5/c1-36-21-7-9-26-18(14-21)17-37-29(35)32(26)20-10-12-31(13-11-20)16-27(33)30-19-6-8-24-25(15-19)22-4-2-3-5-23(22)28(24)34/h2-9,14-15,20H,10-13,16-17H2,1H3,(H,30,33).
What are the key properties of 2-[4-(6-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(9-oxofluoren-3-yl)acetamide?
2-[4-(6-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(9-oxofluoren-3-yl)acetamide has a molecular weight of 497.55 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(9-oxofluoren-3-yl)acetamide is sourced from PubChem (CID 10435973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).