1-(4-fluorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide

C18H26FN3O4S — CID 6462628

IUPAC1-(4-fluorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C18H26FN3O4S/c19-16-3-5-17(6-4-16)27(24,25)22-8-1-2-15(14-22)18(23)20-7-9-21-10-12-26-13-11-21/h3-6,15H,1-2,7-14H2,(H,20,23)
InChIKeyXOCPNPZROASBCW-UHFFFAOYSA-N
MW399.49 g/mol
LogP0.67
Rot. Bonds6

About 1-(4-fluorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide

1-(4-fluorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide (PubChem CID 6462628) has the molecular formula C18H26FN3O4S and a molecular weight of 399.49 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
PubChem CID6462628
Molecular FormulaC18H26FN3O4S
Molecular Weight399.49 g/mol
Exact Mass399.16
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C18H26FN3O4S/c19-16-3-5-17(6-4-16)27(24,25)22-8-1-2-15(14-22)18(23)20-7-9-21-10-12-26-13-11-21/h3-6,15H,1-2,7-14H2,(H,20,23)
InChIKeyXOCPNPZROASBCW-UHFFFAOYSA-N
XLogP0.67
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 3158860
N,N-diethyl-4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 92463235
(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-[(3S)-oxolan-3-yl]piperidine-3-carboxamide
CID 162365276
Oxphos-IN-1
CID 162365284
(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-[(3R)-oxolan-3-yl]piperidine-3-carboxamide
CID 162365428
Morpholino[1-(phenylsulfonyl)-4-piperidinyl]methanone
CID 802533
[1-(4-Fluorophenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 3572352
{1-[(4-Fluorophenyl)sulfonyl]piperidin-3-yl}(morpholin-4-yl)methanone
CID 6488366
2-[Ethyl-(4-fluoro-benzenesulfonyl)-amino]-N-(3-morpholin-4-yl-propyl)-acetamide
CID 6493539
1-[4-[(4-Fluorophenyl)sulfonyl-methylamino]butanoyl]piperidine-3-carboxamide
CID 16326445
N1-((3-((2,5-difluorophenyl)sulfonyl)-1,3-oxazinan-2-yl)methyl)-N2-(3-morpholinopropyl)oxalamide
CID 16808159
3-Methyl-2-(4-methylbenzenesulfonamido)-N-[3-(morpholin-4-YL)propyl]pentanamide
CID 20970535

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide (CID 6462628) is 1-(4-fluorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide is O=C(NCCN1CCOCC1)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide?
The InChIKey is XOCPNPZROASBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O4S/c19-16-3-5-17(6-4-16)27(24,25)22-8-1-2-15(14-22)18(23)20-7-9-21-10-12-26-13-11-21/h3-6,15H,1-2,7-14H2,(H,20,23).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide has a molecular weight of 399.49 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 6462628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).