[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone

C23H25FN2O3S — CID 17483939

IUPAC[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C23H25FN2O3S/c24-21-8-10-22(11-9-21)30(28,29)26-14-4-7-20(17-26)23(27)25-15-12-19(13-16-25)18-5-2-1-3-6-18/h1-3,5-6,8-12,20H,4,7,13-17H2
InChIKeyNNOMEIDANBWEPA-UHFFFAOYSA-N
MW428.53 g/mol
LogP3.54
Rot. Bonds4

About [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone

[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 17483939) has the molecular formula C23H25FN2O3S and a molecular weight of 428.53 g/mol. Its IUPAC name is [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID17483939
Molecular FormulaC23H25FN2O3S
Molecular Weight428.53 g/mol
Exact Mass428.16
IUPAC Name[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C23H25FN2O3S/c24-21-8-10-22(11-9-21)30(28,29)26-14-4-7-20(17-26)23(27)25-15-12-19(13-16-25)18-5-2-1-3-6-18/h1-3,5-6,8-12,20H,4,7,13-17H2
InChIKeyNNOMEIDANBWEPA-UHFFFAOYSA-N
XLogP3.54
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 17483939) is [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone is O=C(C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is NNOMEIDANBWEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O3S/c24-21-8-10-22(11-9-21)30(28,29)26-14-4-7-20(17-26)23(27)25-15-12-19(13-16-25)18-5-2-1-3-6-18/h1-3,5-6,8-12,20H,4,7,13-17H2.
What are the key properties of [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 428.53 g/mol, XLogP of 3.54, 4 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]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 17483939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).