[5-(4-cyclopropyltriazol-1-yl)-4-hydroxy-2-(4-methoxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone

C22H24N4O3S — CID 75248182

IUPAC[5-(4-cyclopropyltriazol-1-yl)-4-hydroxy-2-(4-methoxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone
SMILESCOc1ccc(C2CC(O)C(n3cc(C4CC4)nn3)CN2C(=O)c2cccs2)cc1
InChIInChI=1S/C22H24N4O3S/c1-29-16-8-6-15(7-9-16)18-11-20(27)19(26-12-17(23-24-26)14-4-5-14)13-25(18)22(28)21-3-2-10-30-21/h2-3,6-10,12,14,18-20,27H,4-5,11,13H2,1H3
InChIKeyJUVXRIUVONMUKG-UHFFFAOYSA-N
MW424.53 g/mol
LogP3.41
Rot. Bonds5

About [5-(4-cyclopropyltriazol-1-yl)-4-hydroxy-2-(4-methoxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone

[5-(4-cyclopropyltriazol-1-yl)-4-hydroxy-2-(4-methoxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 75248182) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is [5-(4-cyclopropyltriazol-1-yl)-4-hydroxy-2-(4-methoxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[5-(4-cyclopropyltriazol-1-yl)-4-hydroxy-2-(4-methoxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID75248182
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC Name[5-(4-cyclopropyltriazol-1-yl)-4-hydroxy-2-(4-methoxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone
SMILESCOc1ccc(C2CC(O)C(n3cc(C4CC4)nn3)CN2C(=O)c2cccs2)cc1
InChIInChI=1S/C22H24N4O3S/c1-29-16-8-6-15(7-9-16)18-11-20(27)19(26-12-17(23-24-26)14-4-5-14)13-25(18)22(28)21-3-2-10-30-21/h2-3,6-10,12,14,18-20,27H,4-5,11,13H2,1H3
InChIKeyJUVXRIUVONMUKG-UHFFFAOYSA-N
XLogP3.41
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(2R,4S,5S)-5-(4-cyclopropyltriazol-1-yl)-4-hydroxy-2-(4-methoxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 46902560
[5-(4-cyclopropyltriazol-1-yl)-4-hydroxy-2-(4-methylphenyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 75248165
[(2R,4R,5R)-2-(4-chlorophenyl)-5-[4-(4-fluorophenyl)triazol-1-yl]-4-hydroxypiperidin-1-yl]-thiophen-2-ylmethanone
CID 46903194
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
1-(cyclohexylmethyl)-5-(4-cyclopropyltriazol-1-yl)-2-(4-methylphenyl)piperidin-4-ol
CID 75248204
ethyl (6R)-3-ethyl-6-(4-methoxyphenyl)-4-[[(3R)-3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 93142143
3-(4-cyclopropyltriazol-1-yl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 121190717
[1-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-thiophen-2-ylmethanone
CID 110288971
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 42757770
[(1R,4aS,8aS)-4a-hydroxy-1-(4-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-thiophen-2-ylmethanone
CID 7613683
[2-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]azepan-1-yl]-thiophen-2-ylmethanone
CID 110214505

Frequently Asked Questions

What is the IUPAC name of [5-(4-cyclopropyltriazol-1-yl)-4-hydroxy-2-(4-methoxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [5-(4-cyclopropyltriazol-1-yl)-4-hydroxy-2-(4-methoxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone (CID 75248182) is [5-(4-cyclopropyltriazol-1-yl)-4-hydroxy-2-(4-methoxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [5-(4-cyclopropyltriazol-1-yl)-4-hydroxy-2-(4-methoxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [5-(4-cyclopropyltriazol-1-yl)-4-hydroxy-2-(4-methoxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone is COc1ccc(C2CC(O)C(n3cc(C4CC4)nn3)CN2C(=O)c2cccs2)cc1.
What is the InChIKey of [5-(4-cyclopropyltriazol-1-yl)-4-hydroxy-2-(4-methoxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is JUVXRIUVONMUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-29-16-8-6-15(7-9-16)18-11-20(27)19(26-12-17(23-24-26)14-4-5-14)13-25(18)22(28)21-3-2-10-30-21/h2-3,6-10,12,14,18-20,27H,4-5,11,13H2,1H3.
What are the key properties of [5-(4-cyclopropyltriazol-1-yl)-4-hydroxy-2-(4-methoxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone?
[5-(4-cyclopropyltriazol-1-yl)-4-hydroxy-2-(4-methoxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 424.53 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-cyclopropyltriazol-1-yl)-4-hydroxy-2-(4-methoxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 75248182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).