(4-fluorophenyl)-[1-(2-methoxy-2-pyridin-2-ylethyl)piperidin-4-yl]methanone

C20H23FN2O2 — CID 23503571

IUPAC(4-fluorophenyl)-[1-(2-methoxy-2-pyridin-2-ylethyl)piperidin-4-yl]methanone
SMILESCOC(CN1CCC(C(=O)c2ccc(F)cc2)CC1)c1ccccn1
InChIInChI=1S/C20H23FN2O2/c1-25-19(18-4-2-3-11-22-18)14-23-12-9-16(10-13-23)20(24)15-5-7-17(21)8-6-15/h2-8,11,16,19H,9-10,12-14H2,1H3
InChIKeyMUOCOOMBLZUZAO-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.50
Rot. Bonds6

About (4-fluorophenyl)-[1-(2-methoxy-2-pyridin-2-ylethyl)piperidin-4-yl]methanone

(4-fluorophenyl)-[1-(2-methoxy-2-pyridin-2-ylethyl)piperidin-4-yl]methanone (PubChem CID 23503571) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-(2-methoxy-2-pyridin-2-ylethyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-(2-methoxy-2-pyridin-2-ylethyl)piperidin-4-yl]methanone
PubChem CID23503571
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name(4-fluorophenyl)-[1-(2-methoxy-2-pyridin-2-ylethyl)piperidin-4-yl]methanone
SMILESCOC(CN1CCC(C(=O)c2ccc(F)cc2)CC1)c1ccccn1
InChIInChI=1S/C20H23FN2O2/c1-25-19(18-4-2-3-11-22-18)14-23-12-9-16(10-13-23)20(24)15-5-7-17(21)8-6-15/h2-8,11,16,19H,9-10,12-14H2,1H3
InChIKeyMUOCOOMBLZUZAO-UHFFFAOYSA-N
XLogP3.50
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-(2-methoxy-2-pyridin-2-ylethyl)piperidin-4-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-(2-methoxy-2-pyridin-2-ylethyl)piperidin-4-yl]methanone (CID 23503571) is (4-fluorophenyl)-[1-(2-methoxy-2-pyridin-2-ylethyl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-(2-methoxy-2-pyridin-2-ylethyl)piperidin-4-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-(2-methoxy-2-pyridin-2-ylethyl)piperidin-4-yl]methanone is COC(CN1CCC(C(=O)c2ccc(F)cc2)CC1)c1ccccn1.
What is the InChIKey of (4-fluorophenyl)-[1-(2-methoxy-2-pyridin-2-ylethyl)piperidin-4-yl]methanone?
The InChIKey is MUOCOOMBLZUZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-25-19(18-4-2-3-11-22-18)14-23-12-9-16(10-13-23)20(24)15-5-7-17(21)8-6-15/h2-8,11,16,19H,9-10,12-14H2,1H3.
What are the key properties of (4-fluorophenyl)-[1-(2-methoxy-2-pyridin-2-ylethyl)piperidin-4-yl]methanone?
(4-fluorophenyl)-[1-(2-methoxy-2-pyridin-2-ylethyl)piperidin-4-yl]methanone has a molecular weight of 342.41 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-(2-methoxy-2-pyridin-2-ylethyl)piperidin-4-yl]methanone is sourced from PubChem (CID 23503571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).