4-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide

C17H25FN2O3S — CID 56871790

IUPAC4-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide
SMILESNS(=O)(=O)CCCC(=O)N1CCCC(CCc2ccc(F)cc2)C1
InChIInChI=1S/C17H25FN2O3S/c18-16-9-7-14(8-10-16)5-6-15-3-1-11-20(13-15)17(21)4-2-12-24(19,22)23/h7-10,15H,1-6,11-13H2,(H2,19,22,23)
InChIKeyOLOLQXVQSUOVEG-UHFFFAOYSA-N
MW356.46 g/mol
LogP2.07
Rot. Bonds7

About 4-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide

4-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide (PubChem CID 56871790) has the molecular formula C17H25FN2O3S and a molecular weight of 356.46 g/mol. Its IUPAC name is 4-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide.

Molecular Properties

Compound Name4-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide
PubChem CID56871790
Molecular FormulaC17H25FN2O3S
Molecular Weight356.46 g/mol
Exact Mass356.16
IUPAC Name4-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide
SMILESNS(=O)(=O)CCCC(=O)N1CCCC(CCc2ccc(F)cc2)C1
InChIInChI=1S/C17H25FN2O3S/c18-16-9-7-14(8-10-16)5-6-15-3-1-11-20(13-15)17(21)4-2-12-24(19,22)23/h7-10,15H,1-6,11-13H2,(H2,19,22,23)
InChIKeyOLOLQXVQSUOVEG-UHFFFAOYSA-N
XLogP2.07
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenylethyl)-1-(propylsulfonyl)piperidine-3-carboxamide
CID 4057576
1-(butylsulfonyl)-N-(2-phenylethyl)-3-piperidinecarboxamide
CID 6473196
(4-Benzylpiperidin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone
CID 1082618
1-(ethylsulfonyl)-N-(4-fluorobenzyl)piperidine-4-carboxamide
CID 3237090
1-(Benzylsulfonyl)-3-(1-piperidinylcarbonyl)piperidine
CID 3242176
4-Benzyl-1-{[1-(propylsulfonyl)piperidin-4-yl]carbonyl}piperidine
CID 3245774
1-ethylsulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 4055939
(4-Benzylpiperidin-1-yl)-(1-benzylsulfonylpiperidin-3-yl)methanone
CID 4154453
N-[2-(3-methylphenyl)ethyl]-1-(propylsulfonyl)piperidine-3-carboxamide
CID 5051644
1-((4-fluorophenyl)sulfonyl)-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 8035226
3-[(4-Benzylpiperidin-1-yl)carbonyl]-1-(propylsulfonyl)piperidine
CID 3237289
Tert-butyl 4-[(benzylsulfonyl)carbamoyl]piperidine-1-carboxylate
CID 44389190

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide?
The IUPAC name of 4-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide (CID 56871790) is 4-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide.
What is the SMILES notation for 4-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide?
The canonical SMILES for 4-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide is NS(=O)(=O)CCCC(=O)N1CCCC(CCc2ccc(F)cc2)C1.
What is the InChIKey of 4-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide?
The InChIKey is OLOLQXVQSUOVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O3S/c18-16-9-7-14(8-10-16)5-6-15-3-1-11-20(13-15)17(21)4-2-12-24(19,22)23/h7-10,15H,1-6,11-13H2,(H2,19,22,23).
What are the key properties of 4-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide?
4-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide has a molecular weight of 356.46 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide is sourced from PubChem (CID 56871790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).