[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone

C18H19FN2O4S — CID 71808821

IUPAC[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
SMILESCOc1ncccc1C(=O)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H19FN2O4S/c1-25-17-16(3-2-10-20-17)18(22)21-11-8-15(9-12-21)26(23,24)14-6-4-13(19)5-7-14/h2-7,10,15H,8-9,11-12H2,1H3
InChIKeyDRPCABSMUGPDCQ-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.31
Rot. Bonds4

About [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone

[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone (PubChem CID 71808821) has the molecular formula C18H19FN2O4S and a molecular weight of 378.43 g/mol. Its IUPAC name is [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
PubChem CID71808821
Molecular FormulaC18H19FN2O4S
Molecular Weight378.43 g/mol
Exact Mass378.10
IUPAC Name[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
SMILESCOc1ncccc1C(=O)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H19FN2O4S/c1-25-17-16(3-2-10-20-17)18(22)21-11-8-15(9-12-21)26(23,24)14-6-4-13(19)5-7-14/h2-7,10,15H,8-9,11-12H2,1H3
InChIKeyDRPCABSMUGPDCQ-UHFFFAOYSA-N
XLogP2.31
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
The IUPAC name of [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone (CID 71808821) is [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone is COc1ncccc1C(=O)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
The InChIKey is DRPCABSMUGPDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4S/c1-25-17-16(3-2-10-20-17)18(22)21-11-8-15(9-12-21)26(23,24)14-6-4-13(19)5-7-14/h2-7,10,15H,8-9,11-12H2,1H3.
What are the key properties of [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone has a molecular weight of 378.43 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 71808821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).