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

C15H21N3O — CID 70767469

IUPAC1'-propan-2-ylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESCC(C)N1CCC2(CC1)Nc1ccccc1NC2=O
InChIInChI=1S/C15H21N3O/c1-11(2)18-9-7-15(8-10-18)14(19)16-12-5-3-4-6-13(12)17-15/h3-6,11,17H,7-10H2,1-2H3,(H,16,19)
InChIKeyIYAFLASXUMVZBI-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.29
Rot. Bonds1

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

1'-propan-2-ylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (PubChem CID 70767469) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1'-propan-2-ylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-propan-2-ylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
PubChem CID70767469
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1'-propan-2-ylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESCC(C)N1CCC2(CC1)Nc1ccccc1NC2=O
InChIInChI=1S/C15H21N3O/c1-11(2)18-9-7-15(8-10-18)14(19)16-12-5-3-4-6-13(12)17-15/h3-6,11,17H,7-10H2,1-2H3,(H,16,19)
InChIKeyIYAFLASXUMVZBI-UHFFFAOYSA-N
XLogP2.29
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-propan-2-ylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The IUPAC name of 1'-propan-2-ylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (CID 70767469) is 1'-propan-2-ylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-propan-2-ylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-propan-2-ylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is CC(C)N1CCC2(CC1)Nc1ccccc1NC2=O.
What is the InChIKey of 1'-propan-2-ylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The InChIKey is IYAFLASXUMVZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(2)18-9-7-15(8-10-18)14(19)16-12-5-3-4-6-13(12)17-15/h3-6,11,17H,7-10H2,1-2H3,(H,16,19).
What are the key properties of 1'-propan-2-ylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
1'-propan-2-ylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one has a molecular weight of 259.35 g/mol, XLogP of 2.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-propan-2-ylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is sourced from PubChem (CID 70767469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).