[(2R,5R)-2-methyl-5-naphthalen-1-yloxypiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone

C26H26N4O2 — CID 118726306

IUPAC[(2R,5R)-2-methyl-5-naphthalen-1-yloxypiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
SMILESCc1ccc(-n2nccn2)c(C(=O)N2C[C@H](Oc3cccc4ccccc34)CC[C@H]2C)c1
InChIInChI=1S/C26H26N4O2/c1-18-10-13-24(30-27-14-15-28-30)23(16-18)26(31)29-17-21(12-11-19(29)2)32-25-9-5-7-20-6-3-4-8-22(20)25/h3-10,13-16,19,21H,11-12,17H2,1-2H3/t19-,21-/m1/s1
InChIKeyWMNXZVYJHQFMCI-TZIWHRDSSA-N
MW426.52 g/mol
LogP4.80
Rot. Bonds4

About [(2R,5R)-2-methyl-5-naphthalen-1-yloxypiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone

[(2R,5R)-2-methyl-5-naphthalen-1-yloxypiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone (PubChem CID 118726306) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is [(2R,5R)-2-methyl-5-naphthalen-1-yloxypiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[(2R,5R)-2-methyl-5-naphthalen-1-yloxypiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
PubChem CID118726306
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name[(2R,5R)-2-methyl-5-naphthalen-1-yloxypiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
SMILESCc1ccc(-n2nccn2)c(C(=O)N2C[C@H](Oc3cccc4ccccc34)CC[C@H]2C)c1
InChIInChI=1S/C26H26N4O2/c1-18-10-13-24(30-27-14-15-28-30)23(16-18)26(31)29-17-21(12-11-19(29)2)32-25-9-5-7-20-6-3-4-8-22(20)25/h3-10,13-16,19,21H,11-12,17H2,1-2H3/t19-,21-/m1/s1
InChIKeyWMNXZVYJHQFMCI-TZIWHRDSSA-N
XLogP4.80
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2R,5R)-2-methyl-5-naphthalen-1-yloxypiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]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

[(2R,5R)-5-[(4-fluoro-3-methylphenoxy)methyl]-2-methylpiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 71527494
(5-Isoquinolin-8-yloxy-2-methylpiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone
CID 46211878
(5-Isoquinolin-5-yloxy-2-methylpiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone
CID 46211883
[5-methoxy-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone
CID 71565726
1,1-difluoro-2-(3-{[(3R,6R)-6-methyl-1-{[2-(2H-1,2,3-triazol-2-yl)phenyl]carbonyl}piperidin-3-yl]oxy}phenyl)propan-2-ol
CID 118915337
[3-[(4-Fluoro-3-methylphenoxy)methyl]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 118726303
[3-(4-Fluoro-3-methylphenoxy)piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 118726304
[5-Methyl-2-(triazol-2-yl)phenyl]-(3-naphthalen-1-yloxypiperidin-1-yl)methanone
CID 118726305
[(2R,5S)-5-[(4-fluoro-3-methylphenoxy)methyl]-2-methylpiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 127027859
3-[(4-Fluoro-3-methylphenoxy)methyl]-1-[5-methyl-2-(2H-1,2,3-triazol-2-yl)benzoyl]azepane
CID 46199144
6-[(4-fluoro-3-methylphenoxy)methyl]-2-methyl-1-[5-methyl-2-(2H-1,2,3-triazol-2-yl)benzoyl]azepane
CID 46199145
6-[(4-fluoro-3-methylphenoxy)methyl]-3-methyl-4-[5-methyl-2-(2H-1,2,3-triazol-2-yl)benzoyl]-1,4-oxazepane
CID 46199465

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-2-methyl-5-naphthalen-1-yloxypiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [(2R,5R)-2-methyl-5-naphthalen-1-yloxypiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone (CID 118726306) is [(2R,5R)-2-methyl-5-naphthalen-1-yloxypiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [(2R,5R)-2-methyl-5-naphthalen-1-yloxypiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [(2R,5R)-2-methyl-5-naphthalen-1-yloxypiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone is Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](Oc3cccc4ccccc34)CC[C@H]2C)c1.
What is the InChIKey of [(2R,5R)-2-methyl-5-naphthalen-1-yloxypiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
The InChIKey is WMNXZVYJHQFMCI-TZIWHRDSSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-18-10-13-24(30-27-14-15-28-30)23(16-18)26(31)29-17-21(12-11-19(29)2)32-25-9-5-7-20-6-3-4-8-22(20)25/h3-10,13-16,19,21H,11-12,17H2,1-2H3/t19-,21-/m1/s1.
What are the key properties of [(2R,5R)-2-methyl-5-naphthalen-1-yloxypiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
[(2R,5R)-2-methyl-5-naphthalen-1-yloxypiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone has a molecular weight of 426.52 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-2-methyl-5-naphthalen-1-yloxypiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 118726306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).