1'-(2-oxo-1-oxaspiro[4.4]nonane-4-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one

C21H25N3O4 — CID 131923016

IUPAC1'-(2-oxo-1-oxaspiro[4.4]nonane-4-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESO=C1CC(C(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)C2(CCCC2)O1
InChIInChI=1S/C21H25N3O4/c25-17-13-14(21(28-17)7-3-4-8-21)18(26)24-11-9-20(10-12-24)19(27)22-15-5-1-2-6-16(15)23-20/h1-2,5-6,14,23H,3-4,7-13H2,(H,22,27)
InChIKeyRXDVOWGDJKDDPM-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.29
Rot. Bonds1

About 1'-(2-oxo-1-oxaspiro[4.4]nonane-4-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one

1'-(2-oxo-1-oxaspiro[4.4]nonane-4-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (PubChem CID 131923016) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 1'-(2-oxo-1-oxaspiro[4.4]nonane-4-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(2-oxo-1-oxaspiro[4.4]nonane-4-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
PubChem CID131923016
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name1'-(2-oxo-1-oxaspiro[4.4]nonane-4-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESO=C1CC(C(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)C2(CCCC2)O1
InChIInChI=1S/C21H25N3O4/c25-17-13-14(21(28-17)7-3-4-8-21)18(26)24-11-9-20(10-12-24)19(27)22-15-5-1-2-6-16(15)23-20/h1-2,5-6,14,23H,3-4,7-13H2,(H,22,27)
InChIKeyRXDVOWGDJKDDPM-UHFFFAOYSA-N
XLogP2.29
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1'-(2-oxo-1-oxaspiro[4.4]nonane-4-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one with MolForge

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Related Compounds

1'-(oxolane-2-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70753038
1'-[(3R)-2-oxopiperidine-3-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 96580301
1'-[(3R)-1-methylpiperidine-3-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 97126721
4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one
CID 70732695
5-benzyl-5-[1-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 45231104
1'-[(3S)-1-ethylpiperidine-3-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 97151123
spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one
CID 12886753
4-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one
CID 138380754
1'-[(2S,4S)-4-amino-1-methylpyrrolidine-2-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one;dihydrochloride
CID 154896523
(4S)-4-[4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one
CID 95800999
4-(4-ethylsulfonylpiperazine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one
CID 131933192
4-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one
CID 118784215

Frequently Asked Questions

What is the IUPAC name of 1'-(2-oxo-1-oxaspiro[4.4]nonane-4-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The IUPAC name of 1'-(2-oxo-1-oxaspiro[4.4]nonane-4-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (CID 131923016) is 1'-(2-oxo-1-oxaspiro[4.4]nonane-4-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-(2-oxo-1-oxaspiro[4.4]nonane-4-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-(2-oxo-1-oxaspiro[4.4]nonane-4-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is O=C1CC(C(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)C2(CCCC2)O1.
What is the InChIKey of 1'-(2-oxo-1-oxaspiro[4.4]nonane-4-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The InChIKey is RXDVOWGDJKDDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c25-17-13-14(21(28-17)7-3-4-8-21)18(26)24-11-9-20(10-12-24)19(27)22-15-5-1-2-6-16(15)23-20/h1-2,5-6,14,23H,3-4,7-13H2,(H,22,27).
What are the key properties of 1'-(2-oxo-1-oxaspiro[4.4]nonane-4-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
1'-(2-oxo-1-oxaspiro[4.4]nonane-4-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one has a molecular weight of 383.45 g/mol, XLogP of 2.29, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-oxo-1-oxaspiro[4.4]nonane-4-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is sourced from PubChem (CID 131923016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).