6-propan-2-yloxyspiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one

C15H20N2O3 — CID 103596122

IUPAC6-propan-2-yloxyspiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
SMILESCC(C)Oc1ccc2c(c1)C(=O)NC1(CCNCC1)O2
InChIInChI=1S/C15H20N2O3/c1-10(2)19-11-3-4-13-12(9-11)14(18)17-15(20-13)5-7-16-8-6-15/h3-4,9-10,16H,5-8H2,1-2H3,(H,17,18)
InChIKeyYLBZPEVIKKRAOX-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.68
Rot. Bonds2

About 6-propan-2-yloxyspiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one

6-propan-2-yloxyspiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one (PubChem CID 103596122) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-propan-2-yloxyspiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name6-propan-2-yloxyspiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
PubChem CID103596122
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name6-propan-2-yloxyspiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
SMILESCC(C)Oc1ccc2c(c1)C(=O)NC1(CCNCC1)O2
InChIInChI=1S/C15H20N2O3/c1-10(2)19-11-3-4-13-12(9-11)14(18)17-15(20-13)5-7-16-8-6-15/h3-4,9-10,16H,5-8H2,1-2H3,(H,17,18)
InChIKeyYLBZPEVIKKRAOX-UHFFFAOYSA-N
XLogP1.68
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yloxyspiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one?
The IUPAC name of 6-propan-2-yloxyspiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one (CID 103596122) is 6-propan-2-yloxyspiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one.
What is the SMILES notation for 6-propan-2-yloxyspiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one?
The canonical SMILES for 6-propan-2-yloxyspiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one is CC(C)Oc1ccc2c(c1)C(=O)NC1(CCNCC1)O2.
What is the InChIKey of 6-propan-2-yloxyspiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one?
The InChIKey is YLBZPEVIKKRAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10(2)19-11-3-4-13-12(9-11)14(18)17-15(20-13)5-7-16-8-6-15/h3-4,9-10,16H,5-8H2,1-2H3,(H,17,18).
What are the key properties of 6-propan-2-yloxyspiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one?
6-propan-2-yloxyspiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one has a molecular weight of 276.34 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yloxyspiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one is sourced from PubChem (CID 103596122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).