1'-tert-butylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one

C15H21N3O2 — CID 59165789

IUPAC1'-tert-butylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one
SMILESCC(C)(C)N1CCC2(CC1)OC(=O)Nc1ncccc12
InChIInChI=1S/C15H21N3O2/c1-14(2,3)18-9-6-15(7-10-18)11-5-4-8-16-12(11)17-13(19)20-15/h4-5,8H,6-7,9-10H2,1-3H3,(H,16,17,19)
InChIKeyYALUODXQDVLAGP-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.73
Rot. Bonds

About 1'-tert-butylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one

1'-tert-butylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one (PubChem CID 59165789) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1'-tert-butylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-tert-butylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one
PubChem CID59165789
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1'-tert-butylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one
SMILESCC(C)(C)N1CCC2(CC1)OC(=O)Nc1ncccc12
InChIInChI=1S/C15H21N3O2/c1-14(2,3)18-9-6-15(7-10-18)11-5-4-8-16-12(11)17-13(19)20-15/h4-5,8H,6-7,9-10H2,1-3H3,(H,16,17,19)
InChIKeyYALUODXQDVLAGP-UHFFFAOYSA-N
XLogP2.73
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-tert-butylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one?
The IUPAC name of 1'-tert-butylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one (CID 59165789) is 1'-tert-butylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one.
What is the SMILES notation for 1'-tert-butylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one?
The canonical SMILES for 1'-tert-butylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one is CC(C)(C)N1CCC2(CC1)OC(=O)Nc1ncccc12.
What is the InChIKey of 1'-tert-butylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one?
The InChIKey is YALUODXQDVLAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-14(2,3)18-9-6-15(7-10-18)11-5-4-8-16-12(11)17-13(19)20-15/h4-5,8H,6-7,9-10H2,1-3H3,(H,16,17,19).
What are the key properties of 1'-tert-butylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one?
1'-tert-butylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one has a molecular weight of 275.35 g/mol, XLogP of 2.73, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-tert-butylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one is sourced from PubChem (CID 59165789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).