1'-(oxolane-2-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one

C17H21N3O3 — CID 70753038

IUPAC1'-(oxolane-2-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESO=C(C1CCCO1)N1CCC2(CC1)Nc1ccccc1NC2=O
InChIInChI=1S/C17H21N3O3/c21-15(14-6-3-11-23-14)20-9-7-17(8-10-20)16(22)18-12-4-1-2-5-13(12)19-17/h1-2,4-5,14,19H,3,6-11H2,(H,18,22)
InChIKeyWBPQCVACPPYAMU-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.59
Rot. Bonds1

About 1'-(oxolane-2-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one

1'-(oxolane-2-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (PubChem CID 70753038) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1'-(oxolane-2-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(oxolane-2-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
PubChem CID70753038
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name1'-(oxolane-2-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESO=C(C1CCCO1)N1CCC2(CC1)Nc1ccccc1NC2=O
InChIInChI=1S/C17H21N3O3/c21-15(14-6-3-11-23-14)20-9-7-17(8-10-20)16(22)18-12-4-1-2-5-13(12)19-17/h1-2,4-5,14,19H,3,6-11H2,(H,18,22)
InChIKeyWBPQCVACPPYAMU-UHFFFAOYSA-N
XLogP1.59
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1'-[(3R)-2-oxopiperidine-3-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 96580301
1'-(oxetane-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 156901883
oxolan-2-yl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone
CID 86284648
1'-(2-oxo-1-oxaspiro[4.4]nonane-4-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 131923016
(5R)-5-[2-oxo-2-(3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-yl)ethyl]imidazolidine-2,4-dione
CID 96575753
1'-[(2S)-2-hydroxy-3-methylbutanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 96578484
1'-[(2R)-2-pyrrolidin-1-ylbutanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 97155172
1'-(3,4-dihydro-2H-chromene-6-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70761308
(5R)-9-[(2R)-oxolane-2-carbonyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 97484681
[(2S)-oxolan-2-yl]-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]methanone
CID 7831176
8-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42940741
methyl 1-[(2R)-oxolane-2-carbonyl]-4-phenylpiperidine-4-carboxylate
CID 29362626

Frequently Asked Questions

What is the IUPAC name of 1'-(oxolane-2-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The IUPAC name of 1'-(oxolane-2-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (CID 70753038) is 1'-(oxolane-2-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-(oxolane-2-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-(oxolane-2-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is O=C(C1CCCO1)N1CCC2(CC1)Nc1ccccc1NC2=O.
What is the InChIKey of 1'-(oxolane-2-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The InChIKey is WBPQCVACPPYAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c21-15(14-6-3-11-23-14)20-9-7-17(8-10-20)16(22)18-12-4-1-2-5-13(12)19-17/h1-2,4-5,14,19H,3,6-11H2,(H,18,22).
What are the key properties of 1'-(oxolane-2-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
1'-(oxolane-2-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one has a molecular weight of 315.37 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(oxolane-2-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is sourced from PubChem (CID 70753038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).