4,4,4-trifluoro-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]butanamide

C23H33F3N2O2 — CID 26331475

IUPAC4,4,4-trifluoro-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]butanamide
SMILESCc1ccccc1CN1CCC(CN(C[C@@H]2CCCO2)C(=O)CCC(F)(F)F)CC1
InChIInChI=1S/C23H33F3N2O2/c1-18-5-2-3-6-20(18)16-27-12-9-19(10-13-27)15-28(17-21-7-4-14-30-21)22(29)8-11-23(24,25)26/h2-3,5-6,19,21H,4,7-17H2,1H3/t21-/m0/s1
InChIKeyHQZJYUPYNAHIGC-NRFANRHFSA-N
MW426.52 g/mol
LogP4.56
Rot. Bonds8

About 4,4,4-trifluoro-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]butanamide

4,4,4-trifluoro-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]butanamide (PubChem CID 26331475) has the molecular formula C23H33F3N2O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]butanamide
PubChem CID26331475
Molecular FormulaC23H33F3N2O2
Molecular Weight426.52 g/mol
Exact Mass426.25
IUPAC Name4,4,4-trifluoro-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]butanamide
SMILESCc1ccccc1CN1CCC(CN(C[C@@H]2CCCO2)C(=O)CCC(F)(F)F)CC1
InChIInChI=1S/C23H33F3N2O2/c1-18-5-2-3-6-20(18)16-27-12-9-19(10-13-27)15-28(17-21-7-4-14-30-21)22(29)8-11-23(24,25)26/h2-3,5-6,19,21H,4,7-17H2,1H3/t21-/m0/s1
InChIKeyHQZJYUPYNAHIGC-NRFANRHFSA-N
XLogP4.56
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,4,4-trifluoro-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]butanamide (CID 26331475) is 4,4,4-trifluoro-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]butanamide is Cc1ccccc1CN1CCC(CN(C[C@@H]2CCCO2)C(=O)CCC(F)(F)F)CC1.
What is the InChIKey of 4,4,4-trifluoro-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]butanamide?
The InChIKey is HQZJYUPYNAHIGC-NRFANRHFSA-N. The full InChI is InChI=1S/C23H33F3N2O2/c1-18-5-2-3-6-20(18)16-27-12-9-19(10-13-27)15-28(17-21-7-4-14-30-21)22(29)8-11-23(24,25)26/h2-3,5-6,19,21H,4,7-17H2,1H3/t21-/m0/s1.
What are the key properties of 4,4,4-trifluoro-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]butanamide?
4,4,4-trifluoro-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]butanamide has a molecular weight of 426.52 g/mol, XLogP of 4.56, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]butanamide is sourced from PubChem (CID 26331475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).