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

C20H22N2O3 — CID 3068967

IUPAC1'-(2-hydroxy-2-phenylethyl)spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
SMILESO=C1Nc2ccccc2C2(CCN(CC(O)c3ccccc3)CC2)O1
InChIInChI=1S/C20H22N2O3/c23-18(15-6-2-1-3-7-15)14-22-12-10-20(11-13-22)16-8-4-5-9-17(16)21-19(24)25-20/h1-9,18,23H,10-14H2,(H,21,24)
InChIKeyXFMHSPLNKLUOIO-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.27
Rot. Bonds3

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

1'-(2-hydroxy-2-phenylethyl)spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one (PubChem CID 3068967) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1'-(2-hydroxy-2-phenylethyl)spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(2-hydroxy-2-phenylethyl)spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
PubChem CID3068967
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name1'-(2-hydroxy-2-phenylethyl)spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
SMILESO=C1Nc2ccccc2C2(CCN(CC(O)c3ccccc3)CC2)O1
InChIInChI=1S/C20H22N2O3/c23-18(15-6-2-1-3-7-15)14-22-12-10-20(11-13-22)16-8-4-5-9-17(16)21-19(24)25-20/h1-9,18,23H,10-14H2,(H,21,24)
InChIKeyXFMHSPLNKLUOIO-UHFFFAOYSA-N
XLogP3.27
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(2-hydroxy-2-phenylethyl)spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one?
The IUPAC name of 1'-(2-hydroxy-2-phenylethyl)spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one (CID 3068967) is 1'-(2-hydroxy-2-phenylethyl)spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one.
What is the SMILES notation for 1'-(2-hydroxy-2-phenylethyl)spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one?
The canonical SMILES for 1'-(2-hydroxy-2-phenylethyl)spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one is O=C1Nc2ccccc2C2(CCN(CC(O)c3ccccc3)CC2)O1.
What is the InChIKey of 1'-(2-hydroxy-2-phenylethyl)spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one?
The InChIKey is XFMHSPLNKLUOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-18(15-6-2-1-3-7-15)14-22-12-10-20(11-13-22)16-8-4-5-9-17(16)21-19(24)25-20/h1-9,18,23H,10-14H2,(H,21,24).
What are the key properties of 1'-(2-hydroxy-2-phenylethyl)spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one?
1'-(2-hydroxy-2-phenylethyl)spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one has a molecular weight of 338.41 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-hydroxy-2-phenylethyl)spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one is sourced from PubChem (CID 3068967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).