4-methyl-2-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidine-1-carbonyl]benzonitrile

C23H24F3N3O — CID 149105366

IUPAC4-methyl-2-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidine-1-carbonyl]benzonitrile
SMILESCc1ccc(C#N)c(C(=O)N2CCC[C@@H](C)[C@H]2CCc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C23H24F3N3O/c1-15-5-6-17(13-27)20(12-15)22(30)29-11-3-4-16(2)21(29)10-9-19-8-7-18(14-28-19)23(24,25)26/h5-8,12,14,16,21H,3-4,9-11H2,1-2H3/t16-,21-/m1/s1
InChIKeyQVNYAWJLBMBCOW-IIBYNOLFSA-N
MW415.46 g/mol
LogP5.15
Rot. Bonds4

About 4-methyl-2-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidine-1-carbonyl]benzonitrile

4-methyl-2-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidine-1-carbonyl]benzonitrile (PubChem CID 149105366) has the molecular formula C23H24F3N3O and a molecular weight of 415.46 g/mol. Its IUPAC name is 4-methyl-2-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidine-1-carbonyl]benzonitrile.

Molecular Properties

Compound Name4-methyl-2-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidine-1-carbonyl]benzonitrile
PubChem CID149105366
Molecular FormulaC23H24F3N3O
Molecular Weight415.46 g/mol
Exact Mass415.19
IUPAC Name4-methyl-2-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidine-1-carbonyl]benzonitrile
SMILESCc1ccc(C#N)c(C(=O)N2CCC[C@@H](C)[C@H]2CCc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C23H24F3N3O/c1-15-5-6-17(13-27)20(12-15)22(30)29-11-3-4-16(2)21(29)10-9-19-8-7-18(14-28-19)23(24,25)26/h5-8,12,14,16,21H,3-4,9-11H2,1-2H3/t16-,21-/m1/s1
InChIKeyQVNYAWJLBMBCOW-IIBYNOLFSA-N
XLogP5.15
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.46
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methyl-2-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidine-1-carbonyl]benzonitrile 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

[5-methyl-2-(triazol-2-yl)phenyl]-[(2R,3S)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone
CID 147393039
[5-methyl-2-(triazol-1-yl)phenyl]-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone
CID 147785003
[5-methyl-2-(1H-pyrazol-5-yl)phenyl]-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone
CID 148575708
[5-methyl-2-(1-methylpyrrol-3-yl)phenyl]-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone
CID 149117607
[5-methyl-2-(4-methyltriazol-1-yl)phenyl]-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone
CID 147144518
[4,5-difluoro-2-(triazol-2-yl)phenyl]-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone
CID 161020051
6-[2-[(2R,3R)-3-methyl-1-[5-methyl-2-(3-methylpyrazol-1-yl)benzoyl]piperidin-2-yl]ethyl]pyridine-3-carbonitrile
CID 153141644
(4-methyl-2-pyrimidin-2-ylphenyl)-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperidin-1-yl]methanone
CID 159879394
(2,3-difluoro-6-pyrimidin-2-ylphenyl)-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone
CID 149209874
[(2R,3R)-2-[2-(5-chloro-2-pyridinyl)ethyl]-3-methylpiperidin-1-yl]-[5-methyl-2-(4-methyltriazol-2-yl)phenyl]methanone
CID 153262568
[5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone
CID 134267096
(5-methyl-2-pyrimidin-2-ylphenyl)-[(3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 129025218

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidine-1-carbonyl]benzonitrile?
The IUPAC name of 4-methyl-2-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidine-1-carbonyl]benzonitrile (CID 149105366) is 4-methyl-2-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidine-1-carbonyl]benzonitrile.
What is the SMILES notation for 4-methyl-2-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidine-1-carbonyl]benzonitrile?
The canonical SMILES for 4-methyl-2-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidine-1-carbonyl]benzonitrile is Cc1ccc(C#N)c(C(=O)N2CCC[C@@H](C)[C@H]2CCc2ccc(C(F)(F)F)cn2)c1.
What is the InChIKey of 4-methyl-2-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidine-1-carbonyl]benzonitrile?
The InChIKey is QVNYAWJLBMBCOW-IIBYNOLFSA-N. The full InChI is InChI=1S/C23H24F3N3O/c1-15-5-6-17(13-27)20(12-15)22(30)29-11-3-4-16(2)21(29)10-9-19-8-7-18(14-28-19)23(24,25)26/h5-8,12,14,16,21H,3-4,9-11H2,1-2H3/t16-,21-/m1/s1.
What are the key properties of 4-methyl-2-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidine-1-carbonyl]benzonitrile?
4-methyl-2-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidine-1-carbonyl]benzonitrile has a molecular weight of 415.46 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidine-1-carbonyl]benzonitrile is sourced from PubChem (CID 149105366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).