[1-(4-fluoro-3-hydroxybenzoyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone

C22H24FNO3 — CID 155549206

IUPAC[1-(4-fluoro-3-hydroxybenzoyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)C2CCN(C(=O)c3ccc(F)c(O)c3)CC2)cc1
InChIInChI=1S/C22H24FNO3/c1-14(2)15-3-5-16(6-4-15)21(26)17-9-11-24(12-10-17)22(27)18-7-8-19(23)20(25)13-18/h3-8,13-14,17,25H,9-12H2,1-2H3
InChIKeyBFSWPHDXOKWWQJ-UHFFFAOYSA-N
MW369.44 g/mol
LogP4.39
Rot. Bonds4

About [1-(4-fluoro-3-hydroxybenzoyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone

[1-(4-fluoro-3-hydroxybenzoyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone (PubChem CID 155549206) has the molecular formula C22H24FNO3 and a molecular weight of 369.44 g/mol. Its IUPAC name is [1-(4-fluoro-3-hydroxybenzoyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name[1-(4-fluoro-3-hydroxybenzoyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone
PubChem CID155549206
Molecular FormulaC22H24FNO3
Molecular Weight369.44 g/mol
Exact Mass369.17
IUPAC Name[1-(4-fluoro-3-hydroxybenzoyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)C2CCN(C(=O)c3ccc(F)c(O)c3)CC2)cc1
InChIInChI=1S/C22H24FNO3/c1-14(2)15-3-5-16(6-4-15)21(26)17-9-11-24(12-10-17)22(27)18-7-8-19(23)20(25)13-18/h3-8,13-14,17,25H,9-12H2,1-2H3
InChIKeyBFSWPHDXOKWWQJ-UHFFFAOYSA-N
XLogP4.39
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluoro-3-hydroxybenzoyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone?
The IUPAC name of [1-(4-fluoro-3-hydroxybenzoyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone (CID 155549206) is [1-(4-fluoro-3-hydroxybenzoyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for [1-(4-fluoro-3-hydroxybenzoyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for [1-(4-fluoro-3-hydroxybenzoyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone is CC(C)c1ccc(C(=O)C2CCN(C(=O)c3ccc(F)c(O)c3)CC2)cc1.
What is the InChIKey of [1-(4-fluoro-3-hydroxybenzoyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone?
The InChIKey is BFSWPHDXOKWWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO3/c1-14(2)15-3-5-16(6-4-15)21(26)17-9-11-24(12-10-17)22(27)18-7-8-19(23)20(25)13-18/h3-8,13-14,17,25H,9-12H2,1-2H3.
What are the key properties of [1-(4-fluoro-3-hydroxybenzoyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone?
[1-(4-fluoro-3-hydroxybenzoyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone has a molecular weight of 369.44 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluoro-3-hydroxybenzoyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 155549206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).