4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one;hydrochloride

C21H31ClN4O2 — CID 120774269

IUPAC4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one;hydrochloride
SMILESCC1(C)CN(CC(=O)N2c3ccccc3NC(=O)C23CCCC3)CCC1N.Cl
InChIInChI=1S/C21H30N4O2.ClH/c1-20(2)14-24(12-9-17(20)22)13-18(26)25-16-8-4-3-7-15(16)23-19(27)21(25)10-5-6-11-21;/h3-4,7-8,17H,5-6,9-14,22H2,1-2H3,(H,23,27);1H
InChIKeyWJPMJXUNCDLZCV-UHFFFAOYSA-N
MW406.96 g/mol
LogP2.77
Rot. Bonds2

About 4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one;hydrochloride

4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one;hydrochloride (PubChem CID 120774269) has the molecular formula C21H31ClN4O2 and a molecular weight of 406.96 g/mol. Its IUPAC name is 4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one;hydrochloride.

Molecular Properties

Compound Name4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one;hydrochloride
PubChem CID120774269
Molecular FormulaC21H31ClN4O2
Molecular Weight406.96 g/mol
Exact Mass406.21
IUPAC Name4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one;hydrochloride
SMILESCC1(C)CN(CC(=O)N2c3ccccc3NC(=O)C23CCCC3)CCC1N.Cl
InChIInChI=1S/C21H30N4O2.ClH/c1-20(2)14-24(12-9-17(20)22)13-18(26)25-16-8-4-3-7-15(16)23-19(27)21(25)10-5-6-11-21;/h3-4,7-8,17H,5-6,9-14,22H2,1-2H3,(H,23,27);1H
InChIKeyWJPMJXUNCDLZCV-UHFFFAOYSA-N
XLogP2.77
TPSA78.67 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 ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one
CID 120776748
4-[2-(4-acetylpiperazin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 55471943
4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 55470222
4-[2-(4-benzylpiperazin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 55471388
5-[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one;hydrochloride
CID 120776588
4-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 78829444
4-[2-[[(1S)-1-cyclopropylethyl]-methylamino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 52530145
4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 55471336
3,3-dimethyl-4-[2-[(3R)-3-methylpiperidin-1-yl]acetyl]-1H-quinoxalin-2-one
CID 8903306
1-O-methyl 2-O-[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] benzene-1,2-dicarboxylate
CID 56505639
2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 120774690
4-[2-[methyl(oxan-2-ylmethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 86825126

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one;hydrochloride?
The IUPAC name of 4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one;hydrochloride (CID 120774269) is 4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one;hydrochloride.
What is the SMILES notation for 4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one;hydrochloride?
The canonical SMILES for 4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one;hydrochloride is CC1(C)CN(CC(=O)N2c3ccccc3NC(=O)C23CCCC3)CCC1N.Cl.
What is the InChIKey of 4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one;hydrochloride?
The InChIKey is WJPMJXUNCDLZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2.ClH/c1-20(2)14-24(12-9-17(20)22)13-18(26)25-16-8-4-3-7-15(16)23-19(27)21(25)10-5-6-11-21;/h3-4,7-8,17H,5-6,9-14,22H2,1-2H3,(H,23,27);1H.
What are the key properties of 4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one;hydrochloride?
4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one;hydrochloride has a molecular weight of 406.96 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one;hydrochloride is sourced from PubChem (CID 120774269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).