1'-[(2R)-1-hydroxypropan-2-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one

C15H21N3O2 — CID 96580067

IUPAC1'-[(2R)-1-hydroxypropan-2-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESC[C@H](CO)N1CCC2(CC1)Nc1ccccc1NC2=O
InChIInChI=1S/C15H21N3O2/c1-11(10-19)18-8-6-15(7-9-18)14(20)16-12-4-2-3-5-13(12)17-15/h2-5,11,17,19H,6-10H2,1H3,(H,16,20)/t11-/m1/s1
InChIKeyXACOOCQMADGGNQ-LLVKDONJSA-N
MW275.35 g/mol
LogP1.27
Rot. Bonds2

About 1'-[(2R)-1-hydroxypropan-2-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one

1'-[(2R)-1-hydroxypropan-2-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (PubChem CID 96580067) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1'-[(2R)-1-hydroxypropan-2-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[(2R)-1-hydroxypropan-2-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
PubChem CID96580067
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1'-[(2R)-1-hydroxypropan-2-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESC[C@H](CO)N1CCC2(CC1)Nc1ccccc1NC2=O
InChIInChI=1S/C15H21N3O2/c1-11(10-19)18-8-6-15(7-9-18)14(20)16-12-4-2-3-5-13(12)17-15/h2-5,11,17,19H,6-10H2,1H3,(H,16,20)/t11-/m1/s1
InChIKeyXACOOCQMADGGNQ-LLVKDONJSA-N
XLogP1.27
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-[(2R)-1-hydroxypropan-2-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[(2R)-1-hydroxypropan-2-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (CID 96580067) is 1'-[(2R)-1-hydroxypropan-2-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[(2R)-1-hydroxypropan-2-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[(2R)-1-hydroxypropan-2-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is C[C@H](CO)N1CCC2(CC1)Nc1ccccc1NC2=O.
What is the InChIKey of 1'-[(2R)-1-hydroxypropan-2-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The InChIKey is XACOOCQMADGGNQ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11(10-19)18-8-6-15(7-9-18)14(20)16-12-4-2-3-5-13(12)17-15/h2-5,11,17,19H,6-10H2,1H3,(H,16,20)/t11-/m1/s1.
What are the key properties of 1'-[(2R)-1-hydroxypropan-2-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
1'-[(2R)-1-hydroxypropan-2-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one has a molecular weight of 275.35 g/mol, XLogP of 1.27, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(2R)-1-hydroxypropan-2-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is sourced from PubChem (CID 96580067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).