1-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one

C21H30N4O2 — CID 96578382

IUPAC1-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one
SMILESC[C@@H](C(=O)N1CCCCCC1)N1C(=O)C2(CCNCC2)Nc2ccccc21
InChIInChI=1S/C21H30N4O2/c1-16(19(26)24-14-6-2-3-7-15-24)25-18-9-5-4-8-17(18)23-21(20(25)27)10-12-22-13-11-21/h4-5,8-9,16,22-23H,2-3,6-7,10-15H2,1H3/t16-/m0/s1
InChIKeyLCVJPMPJQNPCCQ-INIZCTEOSA-N
MW370.50 g/mol
LogP2.36
Rot. Bonds2

About 1-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one

1-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one (PubChem CID 96578382) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one
PubChem CID96578382
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name1-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one
SMILESC[C@@H](C(=O)N1CCCCCC1)N1C(=O)C2(CCNCC2)Nc2ccccc21
InChIInChI=1S/C21H30N4O2/c1-16(19(26)24-14-6-2-3-7-15-24)25-18-9-5-4-8-17(18)23-21(20(25)27)10-12-22-13-11-21/h4-5,8-9,16,22-23H,2-3,6-7,10-15H2,1H3/t16-/m0/s1
InChIKeyLCVJPMPJQNPCCQ-INIZCTEOSA-N
XLogP2.36
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one with MolForge

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Related Compounds

1-[1-(azepan-1-yl)-1-oxopropan-2-yl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride
CID 154896262
3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 7916573
1'-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 96573129
(5R)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-5-phenylimidazolidine-2,4-dione
CID 7916777
1'-(1-oxo-1-piperidin-1-ylpropan-2-yl)spiro[1,3-dihydroquinazoline-2,5'-azepane]-2',4-dione
CID 110212312
8-[2-(1,3-dioxoisoindol-2-yl)propanoyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110494007
3-[1-oxo-1-(2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)propan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 166226281
1-[1-(azepan-1-yl)-1-oxopropan-2-yl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 46276085
3-[1-(1,1-dioxo-1,2,5-thiadiazepan-5-yl)-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 155959407
N-[(1S)-1-(4-methylphenyl)ethyl]-2-(2-oxospiro[4H-quinoxaline-3,4'-piperidine]-1-yl)acetamide
CID 96575818
N-methyl-4-[(2-oxospiro[4H-quinoxaline-3,4'-piperidine]-1-yl)methyl]benzamide;hydrochloride
CID 154897183
1-(cyclobutylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one
CID 70740820

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one?
The IUPAC name of 1-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one (CID 96578382) is 1-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one.
What is the SMILES notation for 1-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one?
The canonical SMILES for 1-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one is C[C@@H](C(=O)N1CCCCCC1)N1C(=O)C2(CCNCC2)Nc2ccccc21.
What is the InChIKey of 1-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one?
The InChIKey is LCVJPMPJQNPCCQ-INIZCTEOSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-16(19(26)24-14-6-2-3-7-15-24)25-18-9-5-4-8-17(18)23-21(20(25)27)10-12-22-13-11-21/h4-5,8-9,16,22-23H,2-3,6-7,10-15H2,1H3/t16-/m0/s1.
What are the key properties of 1-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one?
1-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one has a molecular weight of 370.50 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one is sourced from PubChem (CID 96578382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).