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

C20H30N4O — CID 70758496

IUPAC1'-[(1-ethylpiperidin-3-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESCCN1CCCC(CN2CCC3(CC2)Nc2ccccc2NC3=O)C1
InChIInChI=1S/C20H30N4O/c1-2-23-11-5-6-16(14-23)15-24-12-9-20(10-13-24)19(25)21-17-7-3-4-8-18(17)22-20/h3-4,7-8,16,22H,2,5-6,9-15H2,1H3,(H,21,25)
InChIKeyJZBBNJNZLDZCPF-UHFFFAOYSA-N
MW342.49 g/mol
LogP2.62
Rot. Bonds3

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

1'-[(1-ethylpiperidin-3-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (PubChem CID 70758496) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 1'-[(1-ethylpiperidin-3-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[(1-ethylpiperidin-3-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
PubChem CID70758496
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name1'-[(1-ethylpiperidin-3-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESCCN1CCCC(CN2CCC3(CC2)Nc2ccccc2NC3=O)C1
InChIInChI=1S/C20H30N4O/c1-2-23-11-5-6-16(14-23)15-24-12-9-20(10-13-24)19(25)21-17-7-3-4-8-18(17)22-20/h3-4,7-8,16,22H,2,5-6,9-15H2,1H3,(H,21,25)
InChIKeyJZBBNJNZLDZCPF-UHFFFAOYSA-N
XLogP2.62
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1'-[(1-ethylpiperidin-3-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'-[(1-ethylpiperidin-3-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[(1-ethylpiperidin-3-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (CID 70758496) is 1'-[(1-ethylpiperidin-3-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[(1-ethylpiperidin-3-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[(1-ethylpiperidin-3-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is CCN1CCCC(CN2CCC3(CC2)Nc2ccccc2NC3=O)C1.
What is the InChIKey of 1'-[(1-ethylpiperidin-3-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The InChIKey is JZBBNJNZLDZCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-2-23-11-5-6-16(14-23)15-24-12-9-20(10-13-24)19(25)21-17-7-3-4-8-18(17)22-20/h3-4,7-8,16,22H,2,5-6,9-15H2,1H3,(H,21,25).
What are the key properties of 1'-[(1-ethylpiperidin-3-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
1'-[(1-ethylpiperidin-3-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one has a molecular weight of 342.49 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(1-ethylpiperidin-3-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is sourced from PubChem (CID 70758496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).