methyl (2R)-2-(4-ethylsulfonylpiperazin-1-yl)-2-(4-fluorophenyl)acetate

C15H21FN2O4S — CID 95280387

IUPACmethyl (2R)-2-(4-ethylsulfonylpiperazin-1-yl)-2-(4-fluorophenyl)acetate
SMILESCCS(=O)(=O)N1CCN([C@@H](C(=O)OC)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2O4S/c1-3-23(20,21)18-10-8-17(9-11-18)14(15(19)22-2)12-4-6-13(16)7-5-12/h4-7,14H,3,8-11H2,1-2H3/t14-/m1/s1
InChIKeyZQPFKEUPEJIGHX-CQSZACIVSA-N
MW344.41 g/mol
LogP1.01
Rot. Bonds5

About methyl (2R)-2-(4-ethylsulfonylpiperazin-1-yl)-2-(4-fluorophenyl)acetate

methyl (2R)-2-(4-ethylsulfonylpiperazin-1-yl)-2-(4-fluorophenyl)acetate (PubChem CID 95280387) has the molecular formula C15H21FN2O4S and a molecular weight of 344.41 g/mol. Its IUPAC name is methyl (2R)-2-(4-ethylsulfonylpiperazin-1-yl)-2-(4-fluorophenyl)acetate.

Molecular Properties

Compound Namemethyl (2R)-2-(4-ethylsulfonylpiperazin-1-yl)-2-(4-fluorophenyl)acetate
PubChem CID95280387
Molecular FormulaC15H21FN2O4S
Molecular Weight344.41 g/mol
Exact Mass344.12
IUPAC Namemethyl (2R)-2-(4-ethylsulfonylpiperazin-1-yl)-2-(4-fluorophenyl)acetate
SMILESCCS(=O)(=O)N1CCN([C@@H](C(=O)OC)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2O4S/c1-3-23(20,21)18-10-8-17(9-11-18)14(15(19)22-2)12-4-6-13(16)7-5-12/h4-7,14H,3,8-11H2,1-2H3/t14-/m1/s1
InChIKeyZQPFKEUPEJIGHX-CQSZACIVSA-N
XLogP1.01
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-2-(4-ethoxypiperidin-1-yl)-2-(4-fluorophenyl)acetate
CID 95276178
methyl (2S)-2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate
CID 7327391
methyl 2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate bromide
CID 43831496
methyl 2-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]acetate
CID 86879116
methyl (2S)-2-(4-fluorophenyl)-2-[4-[(4-fluorophenyl)carbamoyl]piperazin-1-yl]acetate
CID 31540480
methyl (2S)-2-[(2S)-2-ethylmorpholin-4-yl]-2-(4-fluorophenyl)acetate
CID 95160744
methyl 2-(4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetate
CID 111750143
methyl (2R)-2-(4-fluorophenyl)-2-[(3R)-3-(propanoylamino)piperidin-1-yl]acetate
CID 100838826
4-(2-methoxy-2-oxo-1-phenylethyl)piperazine-1-carboxylic acid
CID 22353154
methyl 2-(4-ethylphenyl)-2-morpholin-4-ylacetate
CID 116860405
methyl 2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-2-(4-chlorophenyl)acetate
CID 43063817
methyl (2R)-2-(4-chlorophenyl)-2-piperazin-1-ylacetate
CID 28819369

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(4-ethylsulfonylpiperazin-1-yl)-2-(4-fluorophenyl)acetate?
The IUPAC name of methyl (2R)-2-(4-ethylsulfonylpiperazin-1-yl)-2-(4-fluorophenyl)acetate (CID 95280387) is methyl (2R)-2-(4-ethylsulfonylpiperazin-1-yl)-2-(4-fluorophenyl)acetate.
What is the SMILES notation for methyl (2R)-2-(4-ethylsulfonylpiperazin-1-yl)-2-(4-fluorophenyl)acetate?
The canonical SMILES for methyl (2R)-2-(4-ethylsulfonylpiperazin-1-yl)-2-(4-fluorophenyl)acetate is CCS(=O)(=O)N1CCN([C@@H](C(=O)OC)c2ccc(F)cc2)CC1.
What is the InChIKey of methyl (2R)-2-(4-ethylsulfonylpiperazin-1-yl)-2-(4-fluorophenyl)acetate?
The InChIKey is ZQPFKEUPEJIGHX-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21FN2O4S/c1-3-23(20,21)18-10-8-17(9-11-18)14(15(19)22-2)12-4-6-13(16)7-5-12/h4-7,14H,3,8-11H2,1-2H3/t14-/m1/s1.
What are the key properties of methyl (2R)-2-(4-ethylsulfonylpiperazin-1-yl)-2-(4-fluorophenyl)acetate?
methyl (2R)-2-(4-ethylsulfonylpiperazin-1-yl)-2-(4-fluorophenyl)acetate has a molecular weight of 344.41 g/mol, XLogP of 1.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(4-ethylsulfonylpiperazin-1-yl)-2-(4-fluorophenyl)acetate is sourced from PubChem (CID 95280387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).