[(1R)-1-(4-methylsulfonylphenyl)-2-(4-phenylpiperazin-1-yl)ethyl] acetate

C21H26N2O4S — CID 95243356

IUPAC[(1R)-1-(4-methylsulfonylphenyl)-2-(4-phenylpiperazin-1-yl)ethyl] acetate
SMILESCC(=O)O[C@@H](CN1CCN(c2ccccc2)CC1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C21H26N2O4S/c1-17(24)27-21(18-8-10-20(11-9-18)28(2,25)26)16-22-12-14-23(15-13-22)19-6-4-3-5-7-19/h3-11,21H,12-16H2,1-2H3/t21-/m0/s1
InChIKeyQMZVFXXDLKYBLZ-NRFANRHFSA-N
MW402.52 g/mol
LogP2.52
Rot. Bonds6

About [(1R)-1-(4-methylsulfonylphenyl)-2-(4-phenylpiperazin-1-yl)ethyl] acetate

[(1R)-1-(4-methylsulfonylphenyl)-2-(4-phenylpiperazin-1-yl)ethyl] acetate (PubChem CID 95243356) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is [(1R)-1-(4-methylsulfonylphenyl)-2-(4-phenylpiperazin-1-yl)ethyl] acetate.

Molecular Properties

Compound Name[(1R)-1-(4-methylsulfonylphenyl)-2-(4-phenylpiperazin-1-yl)ethyl] acetate
PubChem CID95243356
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name[(1R)-1-(4-methylsulfonylphenyl)-2-(4-phenylpiperazin-1-yl)ethyl] acetate
SMILESCC(=O)O[C@@H](CN1CCN(c2ccccc2)CC1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C21H26N2O4S/c1-17(24)27-21(18-8-10-20(11-9-18)28(2,25)26)16-22-12-14-23(15-13-22)19-6-4-3-5-7-19/h3-11,21H,12-16H2,1-2H3/t21-/m0/s1
InChIKeyQMZVFXXDLKYBLZ-NRFANRHFSA-N
XLogP2.52
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(1R)-1-(4-methylsulfonylphenyl)-2-(4-phenylpiperazin-1-yl)ethyl] acetate with MolForge

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

Launch Full Analysis

Related Compounds

[2-[4-(2-acetyloxy-2-phenylethyl)piperazin-1-yl]-1-phenylethyl] acetate
CID 22297806
[2-(azepan-1-yl)-1-phenylethyl] acetate
CID 3115187
1-[(4-methylsulfonylphenyl)methyl]-4-phenylpiperazine
CID 141118596
1-(4-methylsulfonylphenyl)ethyl acetate
CID 174500289
2-phenyl-3-(4-phenylpiperazin-1-yl)propanoic acid
CID 19433570
[4-(4-methylsulfonylphenyl)piperazin-1-yl]-phenylmethanone
CID 4604357
N-[4-[[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-methylsulfonylamino]phenyl]acetamide
CID 12724068
4-(4-methylsulfonylphenyl)piperazine-1-carboxylic acid
CID 141113101
[1-phenyl-3-(4-phenylpiperazin-1-yl)propyl] carbamate
CID 67281861
ethyl 3-hydroxy-4-(4-phenylpiperazin-1-yl)butanoate
CID 82771388
(2S)-2-methylsulfonyl-N-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]propanamide
CID 95776431
(1R)-1-(4-ethoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethanol
CID 95104653

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-methylsulfonylphenyl)-2-(4-phenylpiperazin-1-yl)ethyl] acetate?
The IUPAC name of [(1R)-1-(4-methylsulfonylphenyl)-2-(4-phenylpiperazin-1-yl)ethyl] acetate (CID 95243356) is [(1R)-1-(4-methylsulfonylphenyl)-2-(4-phenylpiperazin-1-yl)ethyl] acetate.
What is the SMILES notation for [(1R)-1-(4-methylsulfonylphenyl)-2-(4-phenylpiperazin-1-yl)ethyl] acetate?
The canonical SMILES for [(1R)-1-(4-methylsulfonylphenyl)-2-(4-phenylpiperazin-1-yl)ethyl] acetate is CC(=O)O[C@@H](CN1CCN(c2ccccc2)CC1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of [(1R)-1-(4-methylsulfonylphenyl)-2-(4-phenylpiperazin-1-yl)ethyl] acetate?
The InChIKey is QMZVFXXDLKYBLZ-NRFANRHFSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-17(24)27-21(18-8-10-20(11-9-18)28(2,25)26)16-22-12-14-23(15-13-22)19-6-4-3-5-7-19/h3-11,21H,12-16H2,1-2H3/t21-/m0/s1.
What are the key properties of [(1R)-1-(4-methylsulfonylphenyl)-2-(4-phenylpiperazin-1-yl)ethyl] acetate?
[(1R)-1-(4-methylsulfonylphenyl)-2-(4-phenylpiperazin-1-yl)ethyl] acetate has a molecular weight of 402.52 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-methylsulfonylphenyl)-2-(4-phenylpiperazin-1-yl)ethyl] acetate is sourced from PubChem (CID 95243356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).