[4-(4-fluorophenyl)sulfanylphenyl]-[1-(3-hydroxybenzoyl)piperidin-4-yl]methanone

C25H22FNO3S — CID 164615358

IUPAC[4-(4-fluorophenyl)sulfanylphenyl]-[1-(3-hydroxybenzoyl)piperidin-4-yl]methanone
SMILESO=C(c1ccc(Sc2ccc(F)cc2)cc1)C1CCN(C(=O)c2cccc(O)c2)CC1
InChIInChI=1S/C25H22FNO3S/c26-20-6-10-23(11-7-20)31-22-8-4-17(5-9-22)24(29)18-12-14-27(15-13-18)25(30)19-2-1-3-21(28)16-19/h1-11,16,18,28H,12-15H2
InChIKeyRGNNPMOXBDNQEI-UHFFFAOYSA-N
MW435.52 g/mol
LogP5.42
Rot. Bonds5

About [4-(4-fluorophenyl)sulfanylphenyl]-[1-(3-hydroxybenzoyl)piperidin-4-yl]methanone

[4-(4-fluorophenyl)sulfanylphenyl]-[1-(3-hydroxybenzoyl)piperidin-4-yl]methanone (PubChem CID 164615358) has the molecular formula C25H22FNO3S and a molecular weight of 435.52 g/mol. Its IUPAC name is [4-(4-fluorophenyl)sulfanylphenyl]-[1-(3-hydroxybenzoyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)sulfanylphenyl]-[1-(3-hydroxybenzoyl)piperidin-4-yl]methanone
PubChem CID164615358
Molecular FormulaC25H22FNO3S
Molecular Weight435.52 g/mol
Exact Mass435.13
IUPAC Name[4-(4-fluorophenyl)sulfanylphenyl]-[1-(3-hydroxybenzoyl)piperidin-4-yl]methanone
SMILESO=C(c1ccc(Sc2ccc(F)cc2)cc1)C1CCN(C(=O)c2cccc(O)c2)CC1
InChIInChI=1S/C25H22FNO3S/c26-20-6-10-23(11-7-20)31-22-8-4-17(5-9-22)24(29)18-12-14-27(15-13-18)25(30)19-2-1-3-21(28)16-19/h1-11,16,18,28H,12-15H2
InChIKeyRGNNPMOXBDNQEI-UHFFFAOYSA-N
XLogP5.42
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.52
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-fluorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone
CID 1438163
(4-fluorophenyl)-[1-[3-(trifluoromethoxy)benzoyl]piperidin-4-yl]methanone
CID 10046202
(4-chlorophenyl)-[1-(3-fluoro-5-hydroxybenzoyl)piperidin-4-yl]methanone
CID 155569023
[1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]-phenylmethanone
CID 136517088
(4-hydroxyphenyl)-[1-(1H-indole-6-carbonyl)piperidin-4-yl]methanone
CID 75403252
N-(4-fluorophenyl)-3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]benzenesulfonamide
CID 55955437
(4-fluorophenyl)-[1-(5-hydroxy-1-methylindole-2-carbonyl)piperidin-4-yl]methanone
CID 67845178
[1-(3-aminobenzoyl)piperidin-4-yl]-phenylmethanone
CID 119699757
(3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818037
[4-(hydroxymethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 43133362
[4-(bromomethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 80677526
2,3-dihydro-1,4-benzodioxin-6-yl-[1-[3-[(4-fluorophenyl)methoxy]benzoyl]piperidin-4-yl]methanone
CID 30797137

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)sulfanylphenyl]-[1-(3-hydroxybenzoyl)piperidin-4-yl]methanone?
The IUPAC name of [4-(4-fluorophenyl)sulfanylphenyl]-[1-(3-hydroxybenzoyl)piperidin-4-yl]methanone (CID 164615358) is [4-(4-fluorophenyl)sulfanylphenyl]-[1-(3-hydroxybenzoyl)piperidin-4-yl]methanone.
What is the SMILES notation for [4-(4-fluorophenyl)sulfanylphenyl]-[1-(3-hydroxybenzoyl)piperidin-4-yl]methanone?
The canonical SMILES for [4-(4-fluorophenyl)sulfanylphenyl]-[1-(3-hydroxybenzoyl)piperidin-4-yl]methanone is O=C(c1ccc(Sc2ccc(F)cc2)cc1)C1CCN(C(=O)c2cccc(O)c2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)sulfanylphenyl]-[1-(3-hydroxybenzoyl)piperidin-4-yl]methanone?
The InChIKey is RGNNPMOXBDNQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FNO3S/c26-20-6-10-23(11-7-20)31-22-8-4-17(5-9-22)24(29)18-12-14-27(15-13-18)25(30)19-2-1-3-21(28)16-19/h1-11,16,18,28H,12-15H2.
What are the key properties of [4-(4-fluorophenyl)sulfanylphenyl]-[1-(3-hydroxybenzoyl)piperidin-4-yl]methanone?
[4-(4-fluorophenyl)sulfanylphenyl]-[1-(3-hydroxybenzoyl)piperidin-4-yl]methanone has a molecular weight of 435.52 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)sulfanylphenyl]-[1-(3-hydroxybenzoyl)piperidin-4-yl]methanone is sourced from PubChem (CID 164615358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).