2-(4-fluorophenoxy)ethyl 1-(benzenesulfonyl)piperidine-4-carboxylate

C20H22FNO5S — CID 24685401

IUPAC2-(4-fluorophenoxy)ethyl 1-(benzenesulfonyl)piperidine-4-carboxylate
SMILESO=C(OCCOc1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H22FNO5S/c21-17-6-8-18(9-7-17)26-14-15-27-20(23)16-10-12-22(13-11-16)28(24,25)19-4-2-1-3-5-19/h1-9,16H,10-15H2
InChIKeyWRKGMSLTCRPUIC-UHFFFAOYSA-N
MW407.46 g/mol
LogP2.85
Rot. Bonds7

About 2-(4-fluorophenoxy)ethyl 1-(benzenesulfonyl)piperidine-4-carboxylate

2-(4-fluorophenoxy)ethyl 1-(benzenesulfonyl)piperidine-4-carboxylate (PubChem CID 24685401) has the molecular formula C20H22FNO5S and a molecular weight of 407.46 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)ethyl 1-(benzenesulfonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name2-(4-fluorophenoxy)ethyl 1-(benzenesulfonyl)piperidine-4-carboxylate
PubChem CID24685401
Molecular FormulaC20H22FNO5S
Molecular Weight407.46 g/mol
Exact Mass407.12
IUPAC Name2-(4-fluorophenoxy)ethyl 1-(benzenesulfonyl)piperidine-4-carboxylate
SMILESO=C(OCCOc1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H22FNO5S/c21-17-6-8-18(9-7-17)26-14-15-27-20(23)16-10-12-22(13-11-16)28(24,25)19-4-2-1-3-5-19/h1-9,16H,10-15H2
InChIKeyWRKGMSLTCRPUIC-UHFFFAOYSA-N
XLogP2.85
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.46
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(4-fluorophenoxy)ethyl 1-(benzenesulfonyl)piperidine-4-carboxylate 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-(2,6-dichlorophenoxy)ethyl 1-(benzenesulfonyl)piperidine-4-carboxylate
CID 30511430
prop-2-ynyl 1-(benzenesulfonyl)piperidine-4-carboxylate
CID 51173015
2-(4-methylphenoxy)ethyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate
CID 46602851
3-(4-fluorophenoxy)propyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate
CID 31431773
2-(4-cyanophenoxy)ethyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 41151127
2-(4-morpholin-4-ylsulfonylphenoxy)ethyl cyclobutanecarboxylate
CID 55449133
2-(3-methylphenoxy)ethyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 4796881
(4-phenylmethoxyphenyl) 1-(benzenesulfonyl)piperidine-4-carboxylate
CID 4784120
(2-ethoxyphenyl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate
CID 7739799
2-(4-cyanophenoxy)ethyl 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate
CID 30066412
2-(4-fluorophenoxy)ethyl 2-(4-piperidin-1-ylsulfonylphenyl)acetate
CID 9323178
(2-fluorophenyl) 1-(benzenesulfonyl)piperidine-4-carboxylate
CID 78777102

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)ethyl 1-(benzenesulfonyl)piperidine-4-carboxylate?
The IUPAC name of 2-(4-fluorophenoxy)ethyl 1-(benzenesulfonyl)piperidine-4-carboxylate (CID 24685401) is 2-(4-fluorophenoxy)ethyl 1-(benzenesulfonyl)piperidine-4-carboxylate.
What is the SMILES notation for 2-(4-fluorophenoxy)ethyl 1-(benzenesulfonyl)piperidine-4-carboxylate?
The canonical SMILES for 2-(4-fluorophenoxy)ethyl 1-(benzenesulfonyl)piperidine-4-carboxylate is O=C(OCCOc1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 2-(4-fluorophenoxy)ethyl 1-(benzenesulfonyl)piperidine-4-carboxylate?
The InChIKey is WRKGMSLTCRPUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO5S/c21-17-6-8-18(9-7-17)26-14-15-27-20(23)16-10-12-22(13-11-16)28(24,25)19-4-2-1-3-5-19/h1-9,16H,10-15H2.
What are the key properties of 2-(4-fluorophenoxy)ethyl 1-(benzenesulfonyl)piperidine-4-carboxylate?
2-(4-fluorophenoxy)ethyl 1-(benzenesulfonyl)piperidine-4-carboxylate has a molecular weight of 407.46 g/mol, XLogP of 2.85, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)ethyl 1-(benzenesulfonyl)piperidine-4-carboxylate is sourced from PubChem (CID 24685401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).