[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone

C16H21FN2O3S — CID 3236130

IUPAC[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCCC1
InChIInChI=1S/C16H21FN2O3S/c17-14-5-7-15(8-6-14)23(21,22)19-11-3-4-13(12-19)16(20)18-9-1-2-10-18/h5-8,13H,1-4,9-12H2
InChIKeyIKRBZGXTEJTISR-UHFFFAOYSA-N
MW340.42 g/mol
LogP1.85
Rot. Bonds3

About [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone

[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 3236130) has the molecular formula C16H21FN2O3S and a molecular weight of 340.42 g/mol. Its IUPAC name is [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID3236130
Molecular FormulaC16H21FN2O3S
Molecular Weight340.42 g/mol
Exact Mass340.13
IUPAC Name[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCCC1
InChIInChI=1S/C16H21FN2O3S/c17-14-5-7-15(8-6-14)23(21,22)19-11-3-4-13(12-19)16(20)18-9-1-2-10-18/h5-8,13H,1-4,9-12H2
InChIKeyIKRBZGXTEJTISR-UHFFFAOYSA-N
XLogP1.85
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone 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

[1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 55406673
[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119400137
methyl 1-[(3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxylate
CID 40947352
azepan-1-yl-[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]methanone
CID 1090468
azepan-1-yl-[(3R)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]methanone
CID 41302489
(3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 778314
cyclohexyl-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 31667720
[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-[(4S)-4-(piperidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone
CID 51728293
[4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methanone
CID 2967478
[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-[(3R)-3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methanone
CID 97351231
(4-cyclopentylpiperazin-1-yl)-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanone
CID 110246552
morpholin-4-yl-[1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-3-yl]methanone
CID 16605464

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone (CID 3236130) is [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone is O=C(C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCCC1.
What is the InChIKey of [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is IKRBZGXTEJTISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3S/c17-14-5-7-15(8-6-14)23(21,22)19-11-3-4-13(12-19)16(20)18-9-1-2-10-18/h5-8,13H,1-4,9-12H2.
What are the key properties of [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone?
[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 340.42 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 3236130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).