(4-fluorophenyl)-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone

C20H20FNO3 — CID 1438038

IUPAC(4-fluorophenyl)-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H20FNO3/c1-25-18-8-4-16(5-9-18)20(24)22-12-10-15(11-13-22)19(23)14-2-6-17(21)7-3-14/h2-9,15H,10-13H2,1H3
InChIKeyCZAGTVFDMNEGGN-UHFFFAOYSA-N
MW341.38 g/mol
LogP3.57
Rot. Bonds4

About (4-fluorophenyl)-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone

(4-fluorophenyl)-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone (PubChem CID 1438038) has the molecular formula C20H20FNO3 and a molecular weight of 341.38 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone
PubChem CID1438038
Molecular FormulaC20H20FNO3
Molecular Weight341.38 g/mol
Exact Mass341.14
IUPAC Name(4-fluorophenyl)-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H20FNO3/c1-25-18-8-4-16(5-9-18)20(24)22-12-10-15(11-13-22)19(23)14-2-6-17(21)7-3-14/h2-9,15H,10-13H2,1H3
InChIKeyCZAGTVFDMNEGGN-UHFFFAOYSA-N
XLogP3.57
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone (CID 1438038) is (4-fluorophenyl)-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone is COc1ccc(C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of (4-fluorophenyl)-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone?
The InChIKey is CZAGTVFDMNEGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO3/c1-25-18-8-4-16(5-9-18)20(24)22-12-10-15(11-13-22)19(23)14-2-6-17(21)7-3-14/h2-9,15H,10-13H2,1H3.
What are the key properties of (4-fluorophenyl)-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone?
(4-fluorophenyl)-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone has a molecular weight of 341.38 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone is sourced from PubChem (CID 1438038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).