4-fluoro-N-[(2R,3S,4R)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-4-methyl-2-thiophen-2-ylpiperidin-3-yl]benzamide

C25H27FN2O3S — CID 125418306

IUPAC4-fluoro-N-[(2R,3S,4R)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-4-methyl-2-thiophen-2-ylpiperidin-3-yl]benzamide
SMILESCOc1cccc(CN2CC[C@@](C)(O)[C@@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2cccs2)c1
InChIInChI=1S/C25H27FN2O3S/c1-25(30)12-13-28(16-17-5-3-6-20(15-17)31-2)22(21-7-4-14-32-21)23(25)27-24(29)18-8-10-19(26)11-9-18/h3-11,14-15,22-23,30H,12-13,16H2,1-2H3,(H,27,29)/t22-,23-,25+/m0/s1
InChIKeyPWXWBXRBNZWMNF-SONWIMMPSA-N
MW454.57 g/mol
LogP4.39
Rot. Bonds6

About 4-fluoro-N-[(2R,3S,4R)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-4-methyl-2-thiophen-2-ylpiperidin-3-yl]benzamide

4-fluoro-N-[(2R,3S,4R)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-4-methyl-2-thiophen-2-ylpiperidin-3-yl]benzamide (PubChem CID 125418306) has the molecular formula C25H27FN2O3S and a molecular weight of 454.57 g/mol. Its IUPAC name is 4-fluoro-N-[(2R,3S,4R)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-4-methyl-2-thiophen-2-ylpiperidin-3-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(2R,3S,4R)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-4-methyl-2-thiophen-2-ylpiperidin-3-yl]benzamide
PubChem CID125418306
Molecular FormulaC25H27FN2O3S
Molecular Weight454.57 g/mol
Exact Mass454.17
IUPAC Name4-fluoro-N-[(2R,3S,4R)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-4-methyl-2-thiophen-2-ylpiperidin-3-yl]benzamide
SMILESCOc1cccc(CN2CC[C@@](C)(O)[C@@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2cccs2)c1
InChIInChI=1S/C25H27FN2O3S/c1-25(30)12-13-28(16-17-5-3-6-20(15-17)31-2)22(21-7-4-14-32-21)23(25)27-24(29)18-8-10-19(26)11-9-18/h3-11,14-15,22-23,30H,12-13,16H2,1-2H3,(H,27,29)/t22-,23-,25+/m0/s1
InChIKeyPWXWBXRBNZWMNF-SONWIMMPSA-N
XLogP4.39
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-N-[(2R,3S,4R)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-4-methyl-2-thiophen-2-ylpiperidin-3-yl]benzamide 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-fluoro-N-[4-hydroxy-4-methyl-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2-thiophen-2-ylpiperidin-3-yl]benzamide
CID 162890523
N-[4-hydroxy-1-[(3-methoxyphenyl)methyl]-4-methyl-2-phenylpiperidin-3-yl]-2-methoxyacetamide
CID 162790407
N-[4-hydroxy-1-(4-methoxybenzoyl)-4-methyl-2-thiophen-2-ylpiperidin-3-yl]-3,3-dimethylbutanamide
CID 162888938
4-hydroxy-3-[(2-methoxyacetyl)amino]-4-methyl-N-propan-2-yl-2-thiophen-2-ylpiperidine-1-carboxamide
CID 162790441
(2S)-2-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]imidazolidine
CID 92569268
4-hydroxy-3-[(2-methoxyacetyl)amino]-4-methyl-N-propyl-2-thiophen-2-ylpiperidine-1-carboxamide
CID 162790734
3-methoxy-N-(2-thiophen-2-ylcyclopropyl)benzamide
CID 110711234
4-fluoro-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 19408479
N-[(2R,3S,4R)-1-acetyl-4-hydroxy-4-methyl-2-thiophen-2-ylpiperidin-3-yl]-3,3-dimethylbutanamide
CID 125418154
N-[1-(cyclohexanecarbonyl)-4-hydroxy-4-methyl-2-thiophen-2-ylpiperidin-3-yl]-2-methoxyacetamide
CID 163073903
4-(3-methoxybenzoyl)-1-(pyridin-3-ylmethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione
CID 4753039
2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 45210149

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2R,3S,4R)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-4-methyl-2-thiophen-2-ylpiperidin-3-yl]benzamide?
The IUPAC name of 4-fluoro-N-[(2R,3S,4R)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-4-methyl-2-thiophen-2-ylpiperidin-3-yl]benzamide (CID 125418306) is 4-fluoro-N-[(2R,3S,4R)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-4-methyl-2-thiophen-2-ylpiperidin-3-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(2R,3S,4R)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-4-methyl-2-thiophen-2-ylpiperidin-3-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[(2R,3S,4R)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-4-methyl-2-thiophen-2-ylpiperidin-3-yl]benzamide is COc1cccc(CN2CC[C@@](C)(O)[C@@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2cccs2)c1.
What is the InChIKey of 4-fluoro-N-[(2R,3S,4R)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-4-methyl-2-thiophen-2-ylpiperidin-3-yl]benzamide?
The InChIKey is PWXWBXRBNZWMNF-SONWIMMPSA-N. The full InChI is InChI=1S/C25H27FN2O3S/c1-25(30)12-13-28(16-17-5-3-6-20(15-17)31-2)22(21-7-4-14-32-21)23(25)27-24(29)18-8-10-19(26)11-9-18/h3-11,14-15,22-23,30H,12-13,16H2,1-2H3,(H,27,29)/t22-,23-,25+/m0/s1.
What are the key properties of 4-fluoro-N-[(2R,3S,4R)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-4-methyl-2-thiophen-2-ylpiperidin-3-yl]benzamide?
4-fluoro-N-[(2R,3S,4R)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-4-methyl-2-thiophen-2-ylpiperidin-3-yl]benzamide has a molecular weight of 454.57 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(2R,3S,4R)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-4-methyl-2-thiophen-2-ylpiperidin-3-yl]benzamide is sourced from PubChem (CID 125418306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).