1'-propan-2-ylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one

C14H19N3O2 — CID 58468025

IUPAC1'-propan-2-ylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one
SMILESCC(C)N1CCC2(CC1)OC(=O)Nc1ncccc12
InChIInChI=1S/C14H19N3O2/c1-10(2)17-8-5-14(6-9-17)11-4-3-7-15-12(11)16-13(18)19-14/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,15,16,18)
InChIKeyXKMKTSUMWJEYRU-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.34
Rot. Bonds1

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

1'-propan-2-ylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one (PubChem CID 58468025) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1'-propan-2-ylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-propan-2-ylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one
PubChem CID58468025
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1'-propan-2-ylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one
SMILESCC(C)N1CCC2(CC1)OC(=O)Nc1ncccc12
InChIInChI=1S/C14H19N3O2/c1-10(2)17-8-5-14(6-9-17)11-4-3-7-15-12(11)16-13(18)19-14/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,15,16,18)
InChIKeyXKMKTSUMWJEYRU-UHFFFAOYSA-N
XLogP2.34
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-propan-2-ylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one?
The IUPAC name of 1'-propan-2-ylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one (CID 58468025) is 1'-propan-2-ylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one.
What is the SMILES notation for 1'-propan-2-ylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one?
The canonical SMILES for 1'-propan-2-ylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one is CC(C)N1CCC2(CC1)OC(=O)Nc1ncccc12.
What is the InChIKey of 1'-propan-2-ylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one?
The InChIKey is XKMKTSUMWJEYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10(2)17-8-5-14(6-9-17)11-4-3-7-15-12(11)16-13(18)19-14/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,15,16,18).
What are the key properties of 1'-propan-2-ylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one?
1'-propan-2-ylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one has a molecular weight of 261.32 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-propan-2-ylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one is sourced from PubChem (CID 58468025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).