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

C15H20N2O2 — CID 21303276

IUPAC1'-propan-2-ylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
SMILESCC(C)N1CCC2(CC1)OC(=O)Nc1ccccc12
InChIInChI=1S/C15H20N2O2/c1-11(2)17-9-7-15(8-10-17)12-5-3-4-6-13(12)16-14(18)19-15/h3-6,11H,7-10H2,1-2H3,(H,16,18)
InChIKeyMGONMYPPVZMMAQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.95
Rot. Bonds1

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

1'-propan-2-ylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one (PubChem CID 21303276) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1'-propan-2-ylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-propan-2-ylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
PubChem CID21303276
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1'-propan-2-ylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
SMILESCC(C)N1CCC2(CC1)OC(=O)Nc1ccccc12
InChIInChI=1S/C15H20N2O2/c1-11(2)17-9-7-15(8-10-17)12-5-3-4-6-13(12)16-14(18)19-15/h3-6,11H,7-10H2,1-2H3,(H,16,18)
InChIKeyMGONMYPPVZMMAQ-UHFFFAOYSA-N
XLogP2.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-propan-2-ylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one?
The IUPAC name of 1'-propan-2-ylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one (CID 21303276) is 1'-propan-2-ylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one.
What is the SMILES notation for 1'-propan-2-ylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one?
The canonical SMILES for 1'-propan-2-ylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one is CC(C)N1CCC2(CC1)OC(=O)Nc1ccccc12.
What is the InChIKey of 1'-propan-2-ylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one?
The InChIKey is MGONMYPPVZMMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11(2)17-9-7-15(8-10-17)12-5-3-4-6-13(12)16-14(18)19-15/h3-6,11H,7-10H2,1-2H3,(H,16,18).
What are the key properties of 1'-propan-2-ylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one?
1'-propan-2-ylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one has a molecular weight of 260.34 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-propan-2-ylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one is sourced from PubChem (CID 21303276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).