[(2R,4R,5R)-2-(4-chlorophenyl)-5-[4-(4-fluorophenyl)triazol-1-yl]-4-hydroxypiperidin-1-yl]-thiophen-2-ylmethanone

C24H20ClFN4O2S — CID 46903194

IUPAC[(2R,4R,5R)-2-(4-chlorophenyl)-5-[4-(4-fluorophenyl)triazol-1-yl]-4-hydroxypiperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1C[C@@H](n2cc(-c3ccc(F)cc3)nn2)[C@H](O)C[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C24H20ClFN4O2S/c25-17-7-3-16(4-8-17)20-12-22(31)21(14-29(20)24(32)23-2-1-11-33-23)30-13-19(27-28-30)15-5-9-18(26)10-6-15/h1-11,13,20-22,31H,12,14H2/t20-,21-,22-/m1/s1
InChIKeyRILDURXAWLMKTN-YPAWHYETSA-N
MW482.97 g/mol
LogP4.99
Rot. Bonds4

About [(2R,4R,5R)-2-(4-chlorophenyl)-5-[4-(4-fluorophenyl)triazol-1-yl]-4-hydroxypiperidin-1-yl]-thiophen-2-ylmethanone

[(2R,4R,5R)-2-(4-chlorophenyl)-5-[4-(4-fluorophenyl)triazol-1-yl]-4-hydroxypiperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 46903194) has the molecular formula C24H20ClFN4O2S and a molecular weight of 482.97 g/mol. Its IUPAC name is [(2R,4R,5R)-2-(4-chlorophenyl)-5-[4-(4-fluorophenyl)triazol-1-yl]-4-hydroxypiperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[(2R,4R,5R)-2-(4-chlorophenyl)-5-[4-(4-fluorophenyl)triazol-1-yl]-4-hydroxypiperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID46903194
Molecular FormulaC24H20ClFN4O2S
Molecular Weight482.97 g/mol
Exact Mass482.10
IUPAC Name[(2R,4R,5R)-2-(4-chlorophenyl)-5-[4-(4-fluorophenyl)triazol-1-yl]-4-hydroxypiperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1C[C@@H](n2cc(-c3ccc(F)cc3)nn2)[C@H](O)C[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C24H20ClFN4O2S/c25-17-7-3-16(4-8-17)20-12-22(31)21(14-29(20)24(32)23-2-1-11-33-23)30-13-19(27-28-30)15-5-9-18(26)10-6-15/h1-11,13,20-22,31H,12,14H2/t20-,21-,22-/m1/s1
InChIKeyRILDURXAWLMKTN-YPAWHYETSA-N
XLogP4.99
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.97
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R,4R,5S)-2-(4-chlorophenyl)-5-[4-(4-fluorophenyl)triazol-1-yl]-4-hydroxypiperidin-1-yl]-cyclohexylmethanone
CID 53245381
[5-(4-cyclopropyltriazol-1-yl)-4-hydroxy-2-(4-methylphenyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 75248165
[(2R,4S,5S)-2-(4-chlorophenyl)-4-[4-(4-fluorophenyl)triazol-1-yl]-5-hydroxypiperidin-1-yl]-cyclohexylmethanone
CID 156602455
[5-(4-cyclopropyltriazol-1-yl)-4-hydroxy-2-(4-methoxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 75248182
[(2R,4S,5S)-5-(4-cyclopropyltriazol-1-yl)-4-hydroxy-2-(4-methoxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 46902560
(2R,4S,5R)-5-[4-(4-fluorophenyl)triazol-1-yl]-2-phenyl-1-(thiophen-2-ylmethyl)piperidin-4-ol
CID 53245368
1-[(2S,4R,5R)-5-[4-(4-fluorophenyl)triazol-1-yl]-4-hydroxy-2-phenylpiperidin-1-yl]hexan-1-one
CID 53245327
cyclohexyl-[(2R,4S,5S)-5-[4-(4-fluorophenyl)triazol-1-yl]-4-hydroxy-2-(4-methoxyphenyl)piperidin-1-yl]methanone
CID 46902565
cyclohexyl-[(2R,4R,5R)-4-[4-(4-fluorophenyl)triazol-1-yl]-5-hydroxy-2-(4-methoxyphenyl)piperidin-1-yl]methanone
CID 46903079
(2S,4S,5S)-5-[4-(4-fluorophenyl)triazol-1-yl]-1-hexyl-2-(4-methoxyphenyl)piperidin-4-ol
CID 53240100
[4-(4-pyridin-4-yltriazol-1-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 29000933
[5-[(4-fluorophenyl)methylsulfonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-thiophen-2-ylmethanone
CID 171680658

Frequently Asked Questions

What is the IUPAC name of [(2R,4R,5R)-2-(4-chlorophenyl)-5-[4-(4-fluorophenyl)triazol-1-yl]-4-hydroxypiperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [(2R,4R,5R)-2-(4-chlorophenyl)-5-[4-(4-fluorophenyl)triazol-1-yl]-4-hydroxypiperidin-1-yl]-thiophen-2-ylmethanone (CID 46903194) is [(2R,4R,5R)-2-(4-chlorophenyl)-5-[4-(4-fluorophenyl)triazol-1-yl]-4-hydroxypiperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [(2R,4R,5R)-2-(4-chlorophenyl)-5-[4-(4-fluorophenyl)triazol-1-yl]-4-hydroxypiperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [(2R,4R,5R)-2-(4-chlorophenyl)-5-[4-(4-fluorophenyl)triazol-1-yl]-4-hydroxypiperidin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1C[C@@H](n2cc(-c3ccc(F)cc3)nn2)[C@H](O)C[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of [(2R,4R,5R)-2-(4-chlorophenyl)-5-[4-(4-fluorophenyl)triazol-1-yl]-4-hydroxypiperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is RILDURXAWLMKTN-YPAWHYETSA-N. The full InChI is InChI=1S/C24H20ClFN4O2S/c25-17-7-3-16(4-8-17)20-12-22(31)21(14-29(20)24(32)23-2-1-11-33-23)30-13-19(27-28-30)15-5-9-18(26)10-6-15/h1-11,13,20-22,31H,12,14H2/t20-,21-,22-/m1/s1.
What are the key properties of [(2R,4R,5R)-2-(4-chlorophenyl)-5-[4-(4-fluorophenyl)triazol-1-yl]-4-hydroxypiperidin-1-yl]-thiophen-2-ylmethanone?
[(2R,4R,5R)-2-(4-chlorophenyl)-5-[4-(4-fluorophenyl)triazol-1-yl]-4-hydroxypiperidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 482.97 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R,5R)-2-(4-chlorophenyl)-5-[4-(4-fluorophenyl)triazol-1-yl]-4-hydroxypiperidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 46903194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).