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

C18H22N4O3 — CID 96580301

IUPAC1'-[(3R)-2-oxopiperidine-3-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESO=C1NCCC[C@H]1C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O
InChIInChI=1S/C18H22N4O3/c23-15-12(4-3-9-19-15)16(24)22-10-7-18(8-11-22)17(25)20-13-5-1-2-6-14(13)21-18/h1-2,5-6,12,21H,3-4,7-11H2,(H,19,23)(H,20,25)/t12-/m1/s1
InChIKeyHBNRFDKRONHICK-GFCCVEGCSA-N
MW342.40 g/mol
LogP0.94
Rot. Bonds1

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

1'-[(3R)-2-oxopiperidine-3-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (PubChem CID 96580301) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1'-[(3R)-2-oxopiperidine-3-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[(3R)-2-oxopiperidine-3-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
PubChem CID96580301
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name1'-[(3R)-2-oxopiperidine-3-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESO=C1NCCC[C@H]1C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O
InChIInChI=1S/C18H22N4O3/c23-15-12(4-3-9-19-15)16(24)22-10-7-18(8-11-22)17(25)20-13-5-1-2-6-14(13)21-18/h1-2,5-6,12,21H,3-4,7-11H2,(H,19,23)(H,20,25)/t12-/m1/s1
InChIKeyHBNRFDKRONHICK-GFCCVEGCSA-N
XLogP0.94
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1'-[(3R)-2-oxopiperidine-3-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[(3R)-2-oxopiperidine-3-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (CID 96580301) is 1'-[(3R)-2-oxopiperidine-3-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[(3R)-2-oxopiperidine-3-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[(3R)-2-oxopiperidine-3-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is O=C1NCCC[C@H]1C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O.
What is the InChIKey of 1'-[(3R)-2-oxopiperidine-3-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The InChIKey is HBNRFDKRONHICK-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H22N4O3/c23-15-12(4-3-9-19-15)16(24)22-10-7-18(8-11-22)17(25)20-13-5-1-2-6-14(13)21-18/h1-2,5-6,12,21H,3-4,7-11H2,(H,19,23)(H,20,25)/t12-/m1/s1.
What are the key properties of 1'-[(3R)-2-oxopiperidine-3-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
1'-[(3R)-2-oxopiperidine-3-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one has a molecular weight of 342.40 g/mol, XLogP of 0.94, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(3R)-2-oxopiperidine-3-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is sourced from PubChem (CID 96580301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).