1-(4-acetylphenyl)-4-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one

C23H32N4O3 — CID 143404316

IUPAC1-(4-acetylphenyl)-4-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one
SMILESCC(=O)c1ccc(N2CCN(CC(=O)N3CCN(C4CCCC4)CC3)CC2=O)cc1
InChIInChI=1S/C23H32N4O3/c1-18(28)19-6-8-21(9-7-19)27-15-10-24(17-23(27)30)16-22(29)26-13-11-25(12-14-26)20-4-2-3-5-20/h6-9,20H,2-5,10-17H2,1H3
InChIKeyHDEIBWPXIUTFGK-UHFFFAOYSA-N
MW412.53 g/mol
LogP1.62
Rot. Bonds5

About 1-(4-acetylphenyl)-4-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one

1-(4-acetylphenyl)-4-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one (PubChem CID 143404316) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-4-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one.

Molecular Properties

Compound Name1-(4-acetylphenyl)-4-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one
PubChem CID143404316
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC Name1-(4-acetylphenyl)-4-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one
SMILESCC(=O)c1ccc(N2CCN(CC(=O)N3CCN(C4CCCC4)CC3)CC2=O)cc1
InChIInChI=1S/C23H32N4O3/c1-18(28)19-6-8-21(9-7-19)27-15-10-24(17-23(27)30)16-22(29)26-13-11-25(12-14-26)20-4-2-3-5-20/h6-9,20H,2-5,10-17H2,1H3
InChIKeyHDEIBWPXIUTFGK-UHFFFAOYSA-N
XLogP1.62
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-acetylphenyl)-4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one
CID 57442579
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57442402
1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]ethanone
CID 10149338
2-[(2R,5S)-4-(4-acetylphenyl)-2,5-dimethylpiperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57463779
4-(4-acetylphenyl)-3-oxopiperazine-1-carboxylic acid
CID 91178638
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(4-ethylsulfanylbenzoyl)piperazin-1-yl]ethanone
CID 57442752
1-(4-cyclopentylpiperazin-1-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 57420589
2-[4-[4-(azepane-1-carbonyl)phenyl]piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57442566
2-[4-[4-acetyl-2-(trifluoromethyl)phenyl]piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57442657
4-[2-[(3R)-3-hydroxypiperidin-1-yl]acetyl]-1-(4-methylphenyl)piperazin-2-one
CID 96580689
1-(4-cyclobutylpiperazin-1-yl)-2-[4-[4-(methyliminomethyl)phenyl]piperazin-1-yl]ethanone
CID 143404331
1-(4-cyclopentylpiperazin-1-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 57442352

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-4-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one?
The IUPAC name of 1-(4-acetylphenyl)-4-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one (CID 143404316) is 1-(4-acetylphenyl)-4-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one.
What is the SMILES notation for 1-(4-acetylphenyl)-4-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one?
The canonical SMILES for 1-(4-acetylphenyl)-4-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one is CC(=O)c1ccc(N2CCN(CC(=O)N3CCN(C4CCCC4)CC3)CC2=O)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-4-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one?
The InChIKey is HDEIBWPXIUTFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-18(28)19-6-8-21(9-7-19)27-15-10-24(17-23(27)30)16-22(29)26-13-11-25(12-14-26)20-4-2-3-5-20/h6-9,20H,2-5,10-17H2,1H3.
What are the key properties of 1-(4-acetylphenyl)-4-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one?
1-(4-acetylphenyl)-4-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one has a molecular weight of 412.53 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-4-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one is sourced from PubChem (CID 143404316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).