1'-[[5-(oxan-2-yl)furan-2-yl]methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one

C22H27N3O3 — CID 131951371

IUPAC1'-[[5-(oxan-2-yl)furan-2-yl]methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESO=C1Nc2ccccc2NC12CCN(Cc1ccc(C3CCCCO3)o1)CC2
InChIInChI=1S/C22H27N3O3/c26-21-22(24-18-6-2-1-5-17(18)23-21)10-12-25(13-11-22)15-16-8-9-20(28-16)19-7-3-4-14-27-19/h1-2,5-6,8-9,19,24H,3-4,7,10-15H2,(H,23,26)
InChIKeyMJOBKYGKDXYEKY-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.92
Rot. Bonds3

About 1'-[[5-(oxan-2-yl)furan-2-yl]methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one

1'-[[5-(oxan-2-yl)furan-2-yl]methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (PubChem CID 131951371) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1'-[[5-(oxan-2-yl)furan-2-yl]methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[[5-(oxan-2-yl)furan-2-yl]methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
PubChem CID131951371
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name1'-[[5-(oxan-2-yl)furan-2-yl]methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESO=C1Nc2ccccc2NC12CCN(Cc1ccc(C3CCCCO3)o1)CC2
InChIInChI=1S/C22H27N3O3/c26-21-22(24-18-6-2-1-5-17(18)23-21)10-12-25(13-11-22)15-16-8-9-20(28-16)19-7-3-4-14-27-19/h1-2,5-6,8-9,19,24H,3-4,7,10-15H2,(H,23,26)
InChIKeyMJOBKYGKDXYEKY-UHFFFAOYSA-N
XLogP3.92
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1'-[[5-(oxan-2-yl)furan-2-yl]methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1'-[[5-(oxan-2-yl)furan-2-yl]methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[[5-(oxan-2-yl)furan-2-yl]methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (CID 131951371) is 1'-[[5-(oxan-2-yl)furan-2-yl]methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[[5-(oxan-2-yl)furan-2-yl]methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[[5-(oxan-2-yl)furan-2-yl]methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is O=C1Nc2ccccc2NC12CCN(Cc1ccc(C3CCCCO3)o1)CC2.
What is the InChIKey of 1'-[[5-(oxan-2-yl)furan-2-yl]methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The InChIKey is MJOBKYGKDXYEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c26-21-22(24-18-6-2-1-5-17(18)23-21)10-12-25(13-11-22)15-16-8-9-20(28-16)19-7-3-4-14-27-19/h1-2,5-6,8-9,19,24H,3-4,7,10-15H2,(H,23,26).
What are the key properties of 1'-[[5-(oxan-2-yl)furan-2-yl]methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
1'-[[5-(oxan-2-yl)furan-2-yl]methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one has a molecular weight of 381.48 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[[5-(oxan-2-yl)furan-2-yl]methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is sourced from PubChem (CID 131951371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).