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

C25H30N4O2 — CID 55471388

IUPAC4-[2-(4-benzylpiperazin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)N1c2ccccc2NC(=O)C12CCCC2
InChIInChI=1S/C25H30N4O2/c30-23(19-28-16-14-27(15-17-28)18-20-8-2-1-3-9-20)29-22-11-5-4-10-21(22)26-24(31)25(29)12-6-7-13-25/h1-5,8-11H,6-7,12-19H2,(H,26,31)
InChIKeyDTFPZNGVGWLYML-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.10
Rot. Bonds4

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

4-[2-(4-benzylpiperazin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one (PubChem CID 55471388) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 4-[2-(4-benzylpiperazin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one.

Molecular Properties

Compound Name4-[2-(4-benzylpiperazin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
PubChem CID55471388
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name4-[2-(4-benzylpiperazin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)N1c2ccccc2NC(=O)C12CCCC2
InChIInChI=1S/C25H30N4O2/c30-23(19-28-16-14-27(15-17-28)18-20-8-2-1-3-9-20)29-22-11-5-4-10-21(22)26-24(31)25(29)12-6-7-13-25/h1-5,8-11H,6-7,12-19H2,(H,26,31)
InChIKeyDTFPZNGVGWLYML-UHFFFAOYSA-N
XLogP3.10
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.10
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-(furan-2-carbonyl)piperazin-1-yl]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 55471336
4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 55470222
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
6-amino-1-benzyl-5-[methyl-[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl]amino]pyrimidine-2,4-dione
CID 55500027
3,3-dimethyl-4-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetyl]-1H-quinoxalin-2-one
CID 16573038
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
3,3-dimethyl-4-[2-[4-(2-methylphenyl)piperazin-1-yl]acetyl]-1H-quinoxalin-2-one
CID 8725457
[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 3,4-dichlorobenzoate
CID 55458590
4-[2-[[(1S)-1-cyclopropylethyl]-methylamino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 52530145

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-benzylpiperazin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one?
The IUPAC name of 4-[2-(4-benzylpiperazin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one (CID 55471388) is 4-[2-(4-benzylpiperazin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one.
What is the SMILES notation for 4-[2-(4-benzylpiperazin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one?
The canonical SMILES for 4-[2-(4-benzylpiperazin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one is O=C(CN1CCN(Cc2ccccc2)CC1)N1c2ccccc2NC(=O)C12CCCC2.
What is the InChIKey of 4-[2-(4-benzylpiperazin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one?
The InChIKey is DTFPZNGVGWLYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c30-23(19-28-16-14-27(15-17-28)18-20-8-2-1-3-9-20)29-22-11-5-4-10-21(22)26-24(31)25(29)12-6-7-13-25/h1-5,8-11H,6-7,12-19H2,(H,26,31).
What are the key properties of 4-[2-(4-benzylpiperazin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one?
4-[2-(4-benzylpiperazin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one has a molecular weight of 418.54 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-benzylpiperazin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one is sourced from PubChem (CID 55471388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).