(4-benzylpiperidin-1-yl)-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methanone

C24H29FN2O3S — CID 3564796

IUPAC(4-benzylpiperidin-1-yl)-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methanone
SMILESO=C(C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C24H29FN2O3S/c25-22-8-10-23(11-9-22)31(29,30)27-14-4-7-21(18-27)24(28)26-15-12-20(13-16-26)17-19-5-2-1-3-6-19/h1-3,5-6,8-11,20-21H,4,7,12-18H2
InChIKeyLEMUJQKQJCOLGK-UHFFFAOYSA-N
MW444.57 g/mol
LogP3.71
Rot. Bonds5

About (4-benzylpiperidin-1-yl)-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methanone

(4-benzylpiperidin-1-yl)-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methanone (PubChem CID 3564796) has the molecular formula C24H29FN2O3S and a molecular weight of 444.57 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methanone
PubChem CID3564796
Molecular FormulaC24H29FN2O3S
Molecular Weight444.57 g/mol
Exact Mass444.19
IUPAC Name(4-benzylpiperidin-1-yl)-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methanone
SMILESO=C(C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C24H29FN2O3S/c25-22-8-10-23(11-9-22)31(29,30)27-14-4-7-21(18-27)24(28)26-15-12-20(13-16-26)17-19-5-2-1-3-6-19/h1-3,5-6,8-11,20-21H,4,7,12-18H2
InChIKeyLEMUJQKQJCOLGK-UHFFFAOYSA-N
XLogP3.71
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.57
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methanone (CID 3564796) is (4-benzylpiperidin-1-yl)-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methanone is O=C(C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methanone?
The InChIKey is LEMUJQKQJCOLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O3S/c25-22-8-10-23(11-9-22)31(29,30)27-14-4-7-21(18-27)24(28)26-15-12-20(13-16-26)17-19-5-2-1-3-6-19/h1-3,5-6,8-11,20-21H,4,7,12-18H2.
What are the key properties of (4-benzylpiperidin-1-yl)-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methanone?
(4-benzylpiperidin-1-yl)-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methanone has a molecular weight of 444.57 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methanone is sourced from PubChem (CID 3564796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).