2',2',6',6',10b-pentamethylspiro[5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinoline-1,4'-piperidine]-3-one

C20H28N2O2 — CID 4265250

IUPAC2',2',6',6',10b-pentamethylspiro[5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinoline-1,4'-piperidine]-3-one
SMILESCC1(C)CC2(CC(C)(C)N1)OC(=O)N1CCc3ccccc3C12C
InChIInChI=1S/C20H28N2O2/c1-17(2)12-20(13-18(3,4)21-17)19(5)15-9-7-6-8-14(15)10-11-22(19)16(23)24-20/h6-9,21H,10-13H2,1-5H3
InChIKeyGYBHSJDARJTSAO-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.59
Rot. Bonds

About 2',2',6',6',10b-pentamethylspiro[5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinoline-1,4'-piperidine]-3-one

2',2',6',6',10b-pentamethylspiro[5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinoline-1,4'-piperidine]-3-one (PubChem CID 4265250) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 2',2',6',6',10b-pentamethylspiro[5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinoline-1,4'-piperidine]-3-one.

Molecular Properties

Compound Name2',2',6',6',10b-pentamethylspiro[5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinoline-1,4'-piperidine]-3-one
PubChem CID4265250
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name2',2',6',6',10b-pentamethylspiro[5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinoline-1,4'-piperidine]-3-one
SMILESCC1(C)CC2(CC(C)(C)N1)OC(=O)N1CCc3ccccc3C12C
InChIInChI=1S/C20H28N2O2/c1-17(2)12-20(13-18(3,4)21-17)19(5)15-9-7-6-8-14(15)10-11-22(19)16(23)24-20/h6-9,21H,10-13H2,1-5H3
InChIKeyGYBHSJDARJTSAO-UHFFFAOYSA-N
XLogP3.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2',2',6',6',10b-pentamethylspiro[5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinoline-1,4'-piperidine]-3-one?
The IUPAC name of 2',2',6',6',10b-pentamethylspiro[5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinoline-1,4'-piperidine]-3-one (CID 4265250) is 2',2',6',6',10b-pentamethylspiro[5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinoline-1,4'-piperidine]-3-one.
What is the SMILES notation for 2',2',6',6',10b-pentamethylspiro[5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinoline-1,4'-piperidine]-3-one?
The canonical SMILES for 2',2',6',6',10b-pentamethylspiro[5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinoline-1,4'-piperidine]-3-one is CC1(C)CC2(CC(C)(C)N1)OC(=O)N1CCc3ccccc3C12C.
What is the InChIKey of 2',2',6',6',10b-pentamethylspiro[5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinoline-1,4'-piperidine]-3-one?
The InChIKey is GYBHSJDARJTSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-17(2)12-20(13-18(3,4)21-17)19(5)15-9-7-6-8-14(15)10-11-22(19)16(23)24-20/h6-9,21H,10-13H2,1-5H3.
What are the key properties of 2',2',6',6',10b-pentamethylspiro[5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinoline-1,4'-piperidine]-3-one?
2',2',6',6',10b-pentamethylspiro[5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinoline-1,4'-piperidine]-3-one has a molecular weight of 328.46 g/mol, XLogP of 3.59, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2',2',6',6',10b-pentamethylspiro[5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinoline-1,4'-piperidine]-3-one is sourced from PubChem (CID 4265250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).