4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one

C22H28N4O3 — CID 55470222

IUPAC4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
SMILESO=C(C1CC1)N1CCN(CC(=O)N2c3ccccc3NC(=O)C23CCCC3)CC1
InChIInChI=1S/C22H28N4O3/c27-19(15-24-11-13-25(14-12-24)20(28)16-7-8-16)26-18-6-2-1-5-17(18)23-21(29)22(26)9-3-4-10-22/h1-2,5-6,16H,3-4,7-15H2,(H,23,29)
InChIKeyINTQXDBMFUVBQA-UHFFFAOYSA-N
MW396.49 g/mol
LogP1.84
Rot. Bonds3

About 4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one

4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one (PubChem CID 55470222) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one.

Molecular Properties

Compound Name4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
PubChem CID55470222
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
SMILESO=C(C1CC1)N1CCN(CC(=O)N2c3ccccc3NC(=O)C23CCCC3)CC1
InChIInChI=1S/C22H28N4O3/c27-19(15-24-11-13-25(14-12-24)20(28)16-7-8-16)26-18-6-2-1-5-17(18)23-21(29)22(26)9-3-4-10-22/h1-2,5-6,16H,3-4,7-15H2,(H,23,29)
InChIKeyINTQXDBMFUVBQA-UHFFFAOYSA-N
XLogP1.84
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-acetylpiperazin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 55471943
4-[2-(4-benzylpiperazin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 55471388
4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 55471336
4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one;hydrochloride
CID 120774269
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
3,3-dimethyl-4-[2-[(3R)-3-methylpiperidin-1-yl]acetyl]-1H-quinoxalin-2-one
CID 8903306
[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 55459032
4-[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 55628491
4-[2-[bis(2-methoxyethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 55470601
4-[2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 86894645
4-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 55591318

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one?
The IUPAC name of 4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one (CID 55470222) is 4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one.
What is the SMILES notation for 4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one?
The canonical SMILES for 4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one is O=C(C1CC1)N1CCN(CC(=O)N2c3ccccc3NC(=O)C23CCCC3)CC1.
What is the InChIKey of 4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one?
The InChIKey is INTQXDBMFUVBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c27-19(15-24-11-13-25(14-12-24)20(28)16-7-8-16)26-18-6-2-1-5-17(18)23-21(29)22(26)9-3-4-10-22/h1-2,5-6,16H,3-4,7-15H2,(H,23,29).
What are the key properties of 4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one?
4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one has a molecular weight of 396.49 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one is sourced from PubChem (CID 55470222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).