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

C20H26N4O3 — CID 55471943

IUPAC4-[2-(4-acetylpiperazin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
SMILESCC(=O)N1CCN(CC(=O)N2c3ccccc3NC(=O)C23CCCC3)CC1
InChIInChI=1S/C20H26N4O3/c1-15(25)23-12-10-22(11-13-23)14-18(26)24-17-7-3-2-6-16(17)21-19(27)20(24)8-4-5-9-20/h2-3,6-7H,4-5,8-14H2,1H3,(H,21,27)
InChIKeyVEIKSTGYVAEIIA-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.45
Rot. Bonds2

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

4-[2-(4-acetylpiperazin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one (PubChem CID 55471943) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 4-[2-(4-acetylpiperazin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one.

Molecular Properties

Compound Name4-[2-(4-acetylpiperazin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
PubChem CID55471943
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name4-[2-(4-acetylpiperazin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
SMILESCC(=O)N1CCN(CC(=O)N2c3ccccc3NC(=O)C23CCCC3)CC1
InChIInChI=1S/C20H26N4O3/c1-15(25)23-12-10-22(11-13-23)14-18(26)24-17-7-3-2-6-16(17)21-19(27)20(24)8-4-5-9-20/h2-3,6-7H,4-5,8-14H2,1H3,(H,21,27)
InChIKeyVEIKSTGYVAEIIA-UHFFFAOYSA-N
XLogP1.45
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-acetylpiperazin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one?
The IUPAC name of 4-[2-(4-acetylpiperazin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one (CID 55471943) is 4-[2-(4-acetylpiperazin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one.
What is the SMILES notation for 4-[2-(4-acetylpiperazin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one?
The canonical SMILES for 4-[2-(4-acetylpiperazin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one is CC(=O)N1CCN(CC(=O)N2c3ccccc3NC(=O)C23CCCC3)CC1.
What is the InChIKey of 4-[2-(4-acetylpiperazin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one?
The InChIKey is VEIKSTGYVAEIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-15(25)23-12-10-22(11-13-23)14-18(26)24-17-7-3-2-6-16(17)21-19(27)20(24)8-4-5-9-20/h2-3,6-7H,4-5,8-14H2,1H3,(H,21,27).
What are the key properties of 4-[2-(4-acetylpiperazin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one?
4-[2-(4-acetylpiperazin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one has a molecular weight of 370.45 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-acetylpiperazin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one is sourced from PubChem (CID 55471943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).