1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-cyclopentylpropan-1-one

C20H28N2O4S — CID 9107096

IUPAC1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-cyclopentylpropan-1-one
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CCC3CCCC3)CC2)cc1
InChIInChI=1S/C20H28N2O4S/c1-16(23)18-7-9-19(10-8-18)27(25,26)22-14-12-21(13-15-22)20(24)11-6-17-4-2-3-5-17/h7-10,17H,2-6,11-15H2,1H3
InChIKeyRQKNEPRYSMGTCA-UHFFFAOYSA-N
MW392.52 g/mol
LogP2.69
Rot. Bonds6

About 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-cyclopentylpropan-1-one

1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-cyclopentylpropan-1-one (PubChem CID 9107096) has the molecular formula C20H28N2O4S and a molecular weight of 392.52 g/mol. Its IUPAC name is 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-cyclopentylpropan-1-one.

Molecular Properties

Compound Name1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-cyclopentylpropan-1-one
PubChem CID9107096
Molecular FormulaC20H28N2O4S
Molecular Weight392.52 g/mol
Exact Mass392.18
IUPAC Name1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-cyclopentylpropan-1-one
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CCC3CCCC3)CC2)cc1
InChIInChI=1S/C20H28N2O4S/c1-16(23)18-7-9-19(10-8-18)27(25,26)22-14-12-21(13-15-22)20(24)11-6-17-4-2-3-5-17/h7-10,17H,2-6,11-15H2,1H3
InChIKeyRQKNEPRYSMGTCA-UHFFFAOYSA-N
XLogP2.69
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-cyclopentylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-cyclopentylpropan-1-one?
The IUPAC name of 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-cyclopentylpropan-1-one (CID 9107096) is 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-cyclopentylpropan-1-one.
What is the SMILES notation for 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-cyclopentylpropan-1-one?
The canonical SMILES for 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-cyclopentylpropan-1-one is CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CCC3CCCC3)CC2)cc1.
What is the InChIKey of 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-cyclopentylpropan-1-one?
The InChIKey is RQKNEPRYSMGTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4S/c1-16(23)18-7-9-19(10-8-18)27(25,26)22-14-12-21(13-15-22)20(24)11-6-17-4-2-3-5-17/h7-10,17H,2-6,11-15H2,1H3.
What are the key properties of 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-cyclopentylpropan-1-one?
1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-cyclopentylpropan-1-one has a molecular weight of 392.52 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-cyclopentylpropan-1-one is sourced from PubChem (CID 9107096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).