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

C21H31ClN4O2 — CID 154896262

IUPAC1-[1-(azepan-1-yl)-1-oxopropan-2-yl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride
SMILESCC(C(=O)N1CCCCCC1)N1C(=O)C2(CCNCC2)Nc2ccccc21.Cl
InChIInChI=1S/C21H30N4O2.ClH/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;1H
InChIKeyPNXGLNIKRFYSHB-UHFFFAOYSA-N
MW406.96 g/mol
LogP2.78
Rot. Bonds2

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

1-[1-(azepan-1-yl)-1-oxopropan-2-yl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride (PubChem CID 154896262) has the molecular formula C21H31ClN4O2 and a molecular weight of 406.96 g/mol. Its IUPAC name is 1-[1-(azepan-1-yl)-1-oxopropan-2-yl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride.

Molecular Properties

Compound Name1-[1-(azepan-1-yl)-1-oxopropan-2-yl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride
PubChem CID154896262
Molecular FormulaC21H31ClN4O2
Molecular Weight406.96 g/mol
Exact Mass406.21
IUPAC Name1-[1-(azepan-1-yl)-1-oxopropan-2-yl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride
SMILESCC(C(=O)N1CCCCCC1)N1C(=O)C2(CCNCC2)Nc2ccccc21.Cl
InChIInChI=1S/C21H30N4O2.ClH/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;1H
InChIKeyPNXGLNIKRFYSHB-UHFFFAOYSA-N
XLogP2.78
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.96
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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

Launch Full Analysis

Related Compounds

1-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one
CID 96578382
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
N-methyl-4-[(2-oxospiro[4H-quinoxaline-3,4'-piperidine]-1-yl)methyl]benzamide;hydrochloride
CID 154897183
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
1-(cyclobutylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one
CID 70740820

Frequently Asked Questions

What is the IUPAC name of 1-[1-(azepan-1-yl)-1-oxopropan-2-yl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride?
The IUPAC name of 1-[1-(azepan-1-yl)-1-oxopropan-2-yl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride (CID 154896262) is 1-[1-(azepan-1-yl)-1-oxopropan-2-yl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride.
What is the SMILES notation for 1-[1-(azepan-1-yl)-1-oxopropan-2-yl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride?
The canonical SMILES for 1-[1-(azepan-1-yl)-1-oxopropan-2-yl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride is CC(C(=O)N1CCCCCC1)N1C(=O)C2(CCNCC2)Nc2ccccc21.Cl.
What is the InChIKey of 1-[1-(azepan-1-yl)-1-oxopropan-2-yl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride?
The InChIKey is PNXGLNIKRFYSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2.ClH/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;1H.
What are the key properties of 1-[1-(azepan-1-yl)-1-oxopropan-2-yl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride?
1-[1-(azepan-1-yl)-1-oxopropan-2-yl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride has a molecular weight of 406.96 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(azepan-1-yl)-1-oxopropan-2-yl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride is sourced from PubChem (CID 154896262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).