(4-butylphenyl)-[1-(4-fluoro-3-hydroxybenzoyl)piperidin-4-yl]methanone

C23H26FNO3 — CID 155531741

IUPAC(4-butylphenyl)-[1-(4-fluoro-3-hydroxybenzoyl)piperidin-4-yl]methanone
SMILESCCCCc1ccc(C(=O)C2CCN(C(=O)c3ccc(F)c(O)c3)CC2)cc1
InChIInChI=1S/C23H26FNO3/c1-2-3-4-16-5-7-17(8-6-16)22(27)18-11-13-25(14-12-18)23(28)19-9-10-20(24)21(26)15-19/h5-10,15,18,26H,2-4,11-14H2,1H3
InChIKeyZHQIHJFXLFNJRR-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.61
Rot. Bonds6

About (4-butylphenyl)-[1-(4-fluoro-3-hydroxybenzoyl)piperidin-4-yl]methanone

(4-butylphenyl)-[1-(4-fluoro-3-hydroxybenzoyl)piperidin-4-yl]methanone (PubChem CID 155531741) has the molecular formula C23H26FNO3 and a molecular weight of 383.46 g/mol. Its IUPAC name is (4-butylphenyl)-[1-(4-fluoro-3-hydroxybenzoyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-butylphenyl)-[1-(4-fluoro-3-hydroxybenzoyl)piperidin-4-yl]methanone
PubChem CID155531741
Molecular FormulaC23H26FNO3
Molecular Weight383.46 g/mol
Exact Mass383.19
IUPAC Name(4-butylphenyl)-[1-(4-fluoro-3-hydroxybenzoyl)piperidin-4-yl]methanone
SMILESCCCCc1ccc(C(=O)C2CCN(C(=O)c3ccc(F)c(O)c3)CC2)cc1
InChIInChI=1S/C23H26FNO3/c1-2-3-4-16-5-7-17(8-6-16)22(27)18-11-13-25(14-12-18)23(28)19-9-10-20(24)21(26)15-19/h5-10,15,18,26H,2-4,11-14H2,1H3
InChIKeyZHQIHJFXLFNJRR-UHFFFAOYSA-N
XLogP4.61
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-butylphenyl)-pyrrolidin-1-ylmethanone
CID 60674990
[1-(4-chloro-3-hydroxybenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 155535689
(4-fluoro-3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 90382644
(4-butylphenyl)-cyclobutylmethanone;ethane
CID 177148339
cyclopentyl-(4-pentylphenyl)methanone
CID 146007805
5-[1-(4-butylbenzoyl)piperidin-4-yl]-6-fluoro-1,3-dihydrobenzimidazol-2-one
CID 87951177
(4-butylphenyl)-[4-(2-methylpropyl)piperidin-1-yl]methanone
CID 90987266
(4-chlorophenyl)-[1-(3-fluoro-5-hydroxybenzoyl)piperidin-4-yl]methanone
CID 155569023
[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl] 4-butylbenzoate
CID 130193111
(4-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 17217763
(4-butylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 171941188
[1-(3-fluorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone
CID 1438163

Frequently Asked Questions

What is the IUPAC name of (4-butylphenyl)-[1-(4-fluoro-3-hydroxybenzoyl)piperidin-4-yl]methanone?
The IUPAC name of (4-butylphenyl)-[1-(4-fluoro-3-hydroxybenzoyl)piperidin-4-yl]methanone (CID 155531741) is (4-butylphenyl)-[1-(4-fluoro-3-hydroxybenzoyl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-butylphenyl)-[1-(4-fluoro-3-hydroxybenzoyl)piperidin-4-yl]methanone?
The canonical SMILES for (4-butylphenyl)-[1-(4-fluoro-3-hydroxybenzoyl)piperidin-4-yl]methanone is CCCCc1ccc(C(=O)C2CCN(C(=O)c3ccc(F)c(O)c3)CC2)cc1.
What is the InChIKey of (4-butylphenyl)-[1-(4-fluoro-3-hydroxybenzoyl)piperidin-4-yl]methanone?
The InChIKey is ZHQIHJFXLFNJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FNO3/c1-2-3-4-16-5-7-17(8-6-16)22(27)18-11-13-25(14-12-18)23(28)19-9-10-20(24)21(26)15-19/h5-10,15,18,26H,2-4,11-14H2,1H3.
What are the key properties of (4-butylphenyl)-[1-(4-fluoro-3-hydroxybenzoyl)piperidin-4-yl]methanone?
(4-butylphenyl)-[1-(4-fluoro-3-hydroxybenzoyl)piperidin-4-yl]methanone has a molecular weight of 383.46 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylphenyl)-[1-(4-fluoro-3-hydroxybenzoyl)piperidin-4-yl]methanone is sourced from PubChem (CID 155531741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).