[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-(4-phenyl-1,3-thiazol-2-yl)methanone

C22H21FN2O2S — CID 138993033

IUPAC[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-(4-phenyl-1,3-thiazol-2-yl)methanone
SMILESO=C(c1nc(-c2ccccc2)cs1)N1CCC(O)(Cc2cccc(F)c2)CC1
InChIInChI=1S/C22H21FN2O2S/c23-18-8-4-5-16(13-18)14-22(27)9-11-25(12-10-22)21(26)20-24-19(15-28-20)17-6-2-1-3-7-17/h1-8,13,15,27H,9-12,14H2
InChIKeyZPYHCASYYYMEIB-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.16
Rot. Bonds4

About [4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-(4-phenyl-1,3-thiazol-2-yl)methanone

[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-(4-phenyl-1,3-thiazol-2-yl)methanone (PubChem CID 138993033) has the molecular formula C22H21FN2O2S and a molecular weight of 396.49 g/mol. Its IUPAC name is [4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-(4-phenyl-1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-(4-phenyl-1,3-thiazol-2-yl)methanone
PubChem CID138993033
Molecular FormulaC22H21FN2O2S
Molecular Weight396.49 g/mol
Exact Mass396.13
IUPAC Name[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-(4-phenyl-1,3-thiazol-2-yl)methanone
SMILESO=C(c1nc(-c2ccccc2)cs1)N1CCC(O)(Cc2cccc(F)c2)CC1
InChIInChI=1S/C22H21FN2O2S/c23-18-8-4-5-16(13-18)14-22(27)9-11-25(12-10-22)21(26)20-24-19(15-28-20)17-6-2-1-3-7-17/h1-8,13,15,27H,9-12,14H2
InChIKeyZPYHCASYYYMEIB-UHFFFAOYSA-N
XLogP4.16
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-(4-phenyl-1,3-thiazol-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone
CID 139007233
(2,3-dimethylquinoxalin-6-yl)-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]methanone
CID 139007249
[2-(3-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]methanone
CID 86797102
[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(4-phenyl-1,3-thiazol-2-yl)methanone
CID 163310450
4-[[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023830
[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 159099032
(4-benzyl-4-hydroxypiperidin-1-yl)-(5-fluoro-2-pyrimidin-4-ylphenyl)methanone
CID 89491801
6-[2-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-2-oxoethyl]-2-methylpyridazin-3-one
CID 160860615
[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone
CID 139007230
[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 56749202
4-(4-phenylphenyl)-1,3-thiazole-2-carboxylic acid
CID 79567342
(3S,4S)-4-methyl-1-(4-phenyl-1,3-thiazole-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 122112197

Frequently Asked Questions

What is the IUPAC name of [4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-(4-phenyl-1,3-thiazol-2-yl)methanone?
The IUPAC name of [4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-(4-phenyl-1,3-thiazol-2-yl)methanone (CID 138993033) is [4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-(4-phenyl-1,3-thiazol-2-yl)methanone.
What is the SMILES notation for [4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-(4-phenyl-1,3-thiazol-2-yl)methanone?
The canonical SMILES for [4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-(4-phenyl-1,3-thiazol-2-yl)methanone is O=C(c1nc(-c2ccccc2)cs1)N1CCC(O)(Cc2cccc(F)c2)CC1.
What is the InChIKey of [4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-(4-phenyl-1,3-thiazol-2-yl)methanone?
The InChIKey is ZPYHCASYYYMEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O2S/c23-18-8-4-5-16(13-18)14-22(27)9-11-25(12-10-22)21(26)20-24-19(15-28-20)17-6-2-1-3-7-17/h1-8,13,15,27H,9-12,14H2.
What are the key properties of [4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-(4-phenyl-1,3-thiazol-2-yl)methanone?
[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-(4-phenyl-1,3-thiazol-2-yl)methanone has a molecular weight of 396.49 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-(4-phenyl-1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 138993033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).