[1-(3,4-difluorophenyl)-5-methyltriazol-4-yl]-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]methanone

C23H24F2N4O2 — CID 167819148

IUPAC[1-(3,4-difluorophenyl)-5-methyltriazol-4-yl]-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]methanone
SMILESCc1cccc(CC2(O)CCN(C(=O)c3nnn(-c4ccc(F)c(F)c4)c3C)CC2)c1
InChIInChI=1S/C23H24F2N4O2/c1-15-4-3-5-17(12-15)14-23(31)8-10-28(11-9-23)22(30)21-16(2)29(27-26-21)18-6-7-19(24)20(25)13-18/h3-7,12-13,31H,8-11,14H2,1-2H3
InChIKeyKIUOWIPPWNQDAY-UHFFFAOYSA-N
MW426.47 g/mol
LogP3.37
Rot. Bonds4

About [1-(3,4-difluorophenyl)-5-methyltriazol-4-yl]-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]methanone

[1-(3,4-difluorophenyl)-5-methyltriazol-4-yl]-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]methanone (PubChem CID 167819148) has the molecular formula C23H24F2N4O2 and a molecular weight of 426.47 g/mol. Its IUPAC name is [1-(3,4-difluorophenyl)-5-methyltriazol-4-yl]-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(3,4-difluorophenyl)-5-methyltriazol-4-yl]-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]methanone
PubChem CID167819148
Molecular FormulaC23H24F2N4O2
Molecular Weight426.47 g/mol
Exact Mass426.19
IUPAC Name[1-(3,4-difluorophenyl)-5-methyltriazol-4-yl]-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]methanone
SMILESCc1cccc(CC2(O)CCN(C(=O)c3nnn(-c4ccc(F)c(F)c4)c3C)CC2)c1
InChIInChI=1S/C23H24F2N4O2/c1-15-4-3-5-17(12-15)14-23(31)8-10-28(11-9-23)22(30)21-16(2)29(27-26-21)18-6-7-19(24)20(25)13-18/h3-7,12-13,31H,8-11,14H2,1-2H3
InChIKeyKIUOWIPPWNQDAY-UHFFFAOYSA-N
XLogP3.37
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(3,4-difluorophenyl)-5-methyltriazol-4-yl]-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-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

[1-(3-chlorophenyl)-5-methyltriazol-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 55876005
(3-fluoro-4-pyridinyl)-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]methanone
CID 136539060
3-methyl-1-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 119256946
ethyl 1-(3,4-difluorophenyl)-5-methyltriazole-4-carboxylate
CID 58191733
[1-(3-bromophenyl)-5-methyltriazol-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 55871321
(3aS,6aR)-5-[1-(3,4-difluorophenyl)-5-methyltriazole-4-carbonyl]-2-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 167868692
4-[1-(4-fluorophenyl)-5-methyltriazole-4-carbonyl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 56509942
[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-[5-methyl-1-(4-methylphenyl)triazol-4-yl]methanone
CID 55883188
[5-methyl-1-(3-methylphenyl)triazol-4-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 55857703
6-[1-(3-chloro-4-fluorophenyl)-5-methyltriazole-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174833
[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone
CID 136539054
[1-(3-chloro-4-methylphenyl)-5-methyltriazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 46857896

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-difluorophenyl)-5-methyltriazol-4-yl]-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]methanone?
The IUPAC name of [1-(3,4-difluorophenyl)-5-methyltriazol-4-yl]-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]methanone (CID 167819148) is [1-(3,4-difluorophenyl)-5-methyltriazol-4-yl]-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [1-(3,4-difluorophenyl)-5-methyltriazol-4-yl]-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for [1-(3,4-difluorophenyl)-5-methyltriazol-4-yl]-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]methanone is Cc1cccc(CC2(O)CCN(C(=O)c3nnn(-c4ccc(F)c(F)c4)c3C)CC2)c1.
What is the InChIKey of [1-(3,4-difluorophenyl)-5-methyltriazol-4-yl]-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]methanone?
The InChIKey is KIUOWIPPWNQDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O2/c1-15-4-3-5-17(12-15)14-23(31)8-10-28(11-9-23)22(30)21-16(2)29(27-26-21)18-6-7-19(24)20(25)13-18/h3-7,12-13,31H,8-11,14H2,1-2H3.
What are the key properties of [1-(3,4-difluorophenyl)-5-methyltriazol-4-yl]-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]methanone?
[1-(3,4-difluorophenyl)-5-methyltriazol-4-yl]-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]methanone has a molecular weight of 426.47 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-difluorophenyl)-5-methyltriazol-4-yl]-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 167819148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).