2-(4-benzylpiperidin-1-yl)-2-oxo-N-(2-oxo-1,4-dihydro-3,1-benzoxazin-6-yl)acetamide

C22H23N3O4 — CID 10475669

IUPAC2-(4-benzylpiperidin-1-yl)-2-oxo-N-(2-oxo-1,4-dihydro-3,1-benzoxazin-6-yl)acetamide
SMILESO=C1Nc2ccc(NC(=O)C(=O)N3CCC(Cc4ccccc4)CC3)cc2CO1
InChIInChI=1S/C22H23N3O4/c26-20(23-18-6-7-19-17(13-18)14-29-22(28)24-19)21(27)25-10-8-16(9-11-25)12-15-4-2-1-3-5-15/h1-7,13,16H,8-12,14H2,(H,23,26)(H,24,28)
InChIKeyKVQODWLYXGVVMM-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.17
Rot. Bonds3

About 2-(4-benzylpiperidin-1-yl)-2-oxo-N-(2-oxo-1,4-dihydro-3,1-benzoxazin-6-yl)acetamide

2-(4-benzylpiperidin-1-yl)-2-oxo-N-(2-oxo-1,4-dihydro-3,1-benzoxazin-6-yl)acetamide (PubChem CID 10475669) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-2-oxo-N-(2-oxo-1,4-dihydro-3,1-benzoxazin-6-yl)acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-2-oxo-N-(2-oxo-1,4-dihydro-3,1-benzoxazin-6-yl)acetamide
PubChem CID10475669
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name2-(4-benzylpiperidin-1-yl)-2-oxo-N-(2-oxo-1,4-dihydro-3,1-benzoxazin-6-yl)acetamide
SMILESO=C1Nc2ccc(NC(=O)C(=O)N3CCC(Cc4ccccc4)CC3)cc2CO1
InChIInChI=1S/C22H23N3O4/c26-20(23-18-6-7-19-17(13-18)14-29-22(28)24-19)21(27)25-10-8-16(9-11-25)12-15-4-2-1-3-5-15/h1-7,13,16H,8-12,14H2,(H,23,26)(H,24,28)
InChIKeyKVQODWLYXGVVMM-UHFFFAOYSA-N
XLogP3.17
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-2-oxo-N-(2-oxo-1,4-dihydro-3,1-benzoxazin-6-yl)acetamide?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-2-oxo-N-(2-oxo-1,4-dihydro-3,1-benzoxazin-6-yl)acetamide (CID 10475669) is 2-(4-benzylpiperidin-1-yl)-2-oxo-N-(2-oxo-1,4-dihydro-3,1-benzoxazin-6-yl)acetamide.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-2-oxo-N-(2-oxo-1,4-dihydro-3,1-benzoxazin-6-yl)acetamide?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-2-oxo-N-(2-oxo-1,4-dihydro-3,1-benzoxazin-6-yl)acetamide is O=C1Nc2ccc(NC(=O)C(=O)N3CCC(Cc4ccccc4)CC3)cc2CO1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-2-oxo-N-(2-oxo-1,4-dihydro-3,1-benzoxazin-6-yl)acetamide?
The InChIKey is KVQODWLYXGVVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c26-20(23-18-6-7-19-17(13-18)14-29-22(28)24-19)21(27)25-10-8-16(9-11-25)12-15-4-2-1-3-5-15/h1-7,13,16H,8-12,14H2,(H,23,26)(H,24,28).
What are the key properties of 2-(4-benzylpiperidin-1-yl)-2-oxo-N-(2-oxo-1,4-dihydro-3,1-benzoxazin-6-yl)acetamide?
2-(4-benzylpiperidin-1-yl)-2-oxo-N-(2-oxo-1,4-dihydro-3,1-benzoxazin-6-yl)acetamide has a molecular weight of 393.44 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-2-oxo-N-(2-oxo-1,4-dihydro-3,1-benzoxazin-6-yl)acetamide is sourced from PubChem (CID 10475669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).