1-[4-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone

C18H24FN3O4S — CID 6468104

IUPAC1-[4-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C18H24FN3O4S/c1-14(23)20-8-6-15(7-9-20)18(24)21-10-12-22(13-11-21)27(25,26)17-4-2-16(19)3-5-17/h2-5,15H,6-13H2,1H3
InChIKeyLXGPGCGDFPYASK-UHFFFAOYSA-N
MW397.47 g/mol
LogP0.92
Rot. Bonds3

About 1-[4-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone

1-[4-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone (PubChem CID 6468104) has the molecular formula C18H24FN3O4S and a molecular weight of 397.47 g/mol. Its IUPAC name is 1-[4-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone
PubChem CID6468104
Molecular FormulaC18H24FN3O4S
Molecular Weight397.47 g/mol
Exact Mass397.15
IUPAC Name1-[4-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C18H24FN3O4S/c1-14(23)20-8-6-15(7-9-20)18(24)21-10-12-22(13-11-21)27(25,26)17-4-2-16(19)3-5-17/h2-5,15H,6-13H2,1H3
InChIKeyLXGPGCGDFPYASK-UHFFFAOYSA-N
XLogP0.92
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone (CID 6468104) is 1-[4-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1.
What is the InChIKey of 1-[4-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is LXGPGCGDFPYASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O4S/c1-14(23)20-8-6-15(7-9-20)18(24)21-10-12-22(13-11-21)27(25,26)17-4-2-16(19)3-5-17/h2-5,15H,6-13H2,1H3.
What are the key properties of 1-[4-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone?
1-[4-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 397.47 g/mol, XLogP of 0.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 6468104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).