1'-(4-methoxybenzoyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one

C20H20N2O4 — CID 134792245

IUPAC1'-(4-methoxybenzoyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
SMILESCOc1ccc(C(=O)N2CCC3(CC2)NC(=O)c2ccccc2O3)cc1
InChIInChI=1S/C20H20N2O4/c1-25-15-8-6-14(7-9-15)19(24)22-12-10-20(11-13-22)21-18(23)16-4-2-3-5-17(16)26-20/h2-9H,10-13H2,1H3,(H,21,23)
InChIKeyNYPSCTFWITUNMS-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.45
Rot. Bonds2

About 1'-(4-methoxybenzoyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one

1'-(4-methoxybenzoyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one (PubChem CID 134792245) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 1'-(4-methoxybenzoyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(4-methoxybenzoyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
PubChem CID134792245
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name1'-(4-methoxybenzoyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
SMILESCOc1ccc(C(=O)N2CCC3(CC2)NC(=O)c2ccccc2O3)cc1
InChIInChI=1S/C20H20N2O4/c1-25-15-8-6-14(7-9-15)19(24)22-12-10-20(11-13-22)21-18(23)16-4-2-3-5-17(16)26-20/h2-9H,10-13H2,1H3,(H,21,23)
InChIKeyNYPSCTFWITUNMS-UHFFFAOYSA-N
XLogP2.45
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(4-methoxybenzoyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(4-methoxybenzoyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one (CID 134792245) is 1'-(4-methoxybenzoyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(4-methoxybenzoyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(4-methoxybenzoyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one is COc1ccc(C(=O)N2CCC3(CC2)NC(=O)c2ccccc2O3)cc1.
What is the InChIKey of 1'-(4-methoxybenzoyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one?
The InChIKey is NYPSCTFWITUNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-25-15-8-6-14(7-9-15)19(24)22-12-10-20(11-13-22)21-18(23)16-4-2-3-5-17(16)26-20/h2-9H,10-13H2,1H3,(H,21,23).
What are the key properties of 1'-(4-methoxybenzoyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one?
1'-(4-methoxybenzoyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one has a molecular weight of 352.39 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-methoxybenzoyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one is sourced from PubChem (CID 134792245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).