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

C20H28N4O2 — CID 97151123

IUPAC1'-[(3S)-1-ethylpiperidine-3-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESCCN1CCC[C@H](C(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)C1
InChIInChI=1S/C20H28N4O2/c1-2-23-11-5-6-15(14-23)18(25)24-12-9-20(10-13-24)19(26)21-16-7-3-4-8-17(16)22-20/h3-4,7-8,15,22H,2,5-6,9-14H2,1H3,(H,21,26)/t15-/m0/s1
InChIKeyDMCRDXQYHMNHKU-HNNXBMFYSA-N
MW356.47 g/mol
LogP2.14
Rot. Bonds2

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

1'-[(3S)-1-ethylpiperidine-3-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (PubChem CID 97151123) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1'-[(3S)-1-ethylpiperidine-3-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[(3S)-1-ethylpiperidine-3-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
PubChem CID97151123
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name1'-[(3S)-1-ethylpiperidine-3-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESCCN1CCC[C@H](C(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)C1
InChIInChI=1S/C20H28N4O2/c1-2-23-11-5-6-15(14-23)18(25)24-12-9-20(10-13-24)19(26)21-16-7-3-4-8-17(16)22-20/h3-4,7-8,15,22H,2,5-6,9-14H2,1H3,(H,21,26)/t15-/m0/s1
InChIKeyDMCRDXQYHMNHKU-HNNXBMFYSA-N
XLogP2.14
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1'-[(3R)-1-methylpiperidine-3-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 97126721
1'-[(1-ethylpiperidin-3-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70758496
1'-(oxolane-2-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70753038
1'-[(2R)-2-pyrrolidin-1-ylbutanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 97155172
1'-[(3R)-2-oxopiperidine-3-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 96580301
1'-[(2S,4S)-4-amino-1-methylpyrrolidine-2-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one;dihydrochloride
CID 154896523
N-[(2S)-1-oxo-1-(3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-yl)pentan-2-yl]acetamide
CID 97132124
1'-(2-oxo-1-oxaspiro[4.4]nonane-4-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 131923016
1'-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 96573129
(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'-(2-hydroxyethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70768593

Frequently Asked Questions

What is the IUPAC name of 1'-[(3S)-1-ethylpiperidine-3-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[(3S)-1-ethylpiperidine-3-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (CID 97151123) is 1'-[(3S)-1-ethylpiperidine-3-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[(3S)-1-ethylpiperidine-3-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[(3S)-1-ethylpiperidine-3-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is CCN1CCC[C@H](C(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)C1.
What is the InChIKey of 1'-[(3S)-1-ethylpiperidine-3-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The InChIKey is DMCRDXQYHMNHKU-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-2-23-11-5-6-15(14-23)18(25)24-12-9-20(10-13-24)19(26)21-16-7-3-4-8-17(16)22-20/h3-4,7-8,15,22H,2,5-6,9-14H2,1H3,(H,21,26)/t15-/m0/s1.
What are the key properties of 1'-[(3S)-1-ethylpiperidine-3-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
1'-[(3S)-1-ethylpiperidine-3-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one has a molecular weight of 356.47 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(3S)-1-ethylpiperidine-3-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is sourced from PubChem (CID 97151123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).