N-(1-benzylpiperidin-4-yl)-2-hydroxy-3-methyl-2-[3-(trifluoromethyl)phenyl]butanamide

C24H29F3N2O2 — CID 68869568

IUPACN-(1-benzylpiperidin-4-yl)-2-hydroxy-3-methyl-2-[3-(trifluoromethyl)phenyl]butanamide
SMILESCC(C)C(O)(C(=O)NC1CCN(Cc2ccccc2)CC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H29F3N2O2/c1-17(2)23(31,19-9-6-10-20(15-19)24(25,26)27)22(30)28-21-11-13-29(14-12-21)16-18-7-4-3-5-8-18/h3-10,15,17,21,31H,11-14,16H2,1-2H3,(H,28,30)
InChIKeyZVEVELMGTYGTLG-UHFFFAOYSA-N
MW434.50 g/mol
LogP4.33
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-2-hydroxy-3-methyl-2-[3-(trifluoromethyl)phenyl]butanamide

N-(1-benzylpiperidin-4-yl)-2-hydroxy-3-methyl-2-[3-(trifluoromethyl)phenyl]butanamide (PubChem CID 68869568) has the molecular formula C24H29F3N2O2 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-hydroxy-3-methyl-2-[3-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-hydroxy-3-methyl-2-[3-(trifluoromethyl)phenyl]butanamide
PubChem CID68869568
Molecular FormulaC24H29F3N2O2
Molecular Weight434.50 g/mol
Exact Mass434.22
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-hydroxy-3-methyl-2-[3-(trifluoromethyl)phenyl]butanamide
SMILESCC(C)C(O)(C(=O)NC1CCN(Cc2ccccc2)CC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H29F3N2O2/c1-17(2)23(31,19-9-6-10-20(15-19)24(25,26)27)22(30)28-21-11-13-29(14-12-21)16-18-7-4-3-5-8-18/h3-10,15,17,21,31H,11-14,16H2,1-2H3,(H,28,30)
InChIKeyZVEVELMGTYGTLG-UHFFFAOYSA-N
XLogP4.33
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-benzylpiperidin-4-yl)-2-hydroxy-3-methyl-2-[3-(trifluoromethyl)phenyl]butanamide 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

N-(1-benzylpiperidin-4-yl)-2-hydroxy-3-methyl-2-(2-methylphenyl)butanamide
CID 68870361
2-phenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 10948807
1-(1-benzylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 3848011
1-(1-benzylpiperidin-4-yl)-3-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 86972447
N-cyclopropyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 163345849
N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-2-(trifluoromethylsulfanyl)acetamide
CID 55945248
N-cyclopentyl-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide
CID 18088721
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
(2R)-N-(1-benzylpiperidin-4-yl)-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide
CID 102016686
2-(4-ethoxyphenoxy)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 86812682
2,2-difluoro-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]propanamide
CID 158389197
N-(1-benzylpiperidin-4-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 46488361

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-hydroxy-3-methyl-2-[3-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-hydroxy-3-methyl-2-[3-(trifluoromethyl)phenyl]butanamide (CID 68869568) is N-(1-benzylpiperidin-4-yl)-2-hydroxy-3-methyl-2-[3-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-hydroxy-3-methyl-2-[3-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-hydroxy-3-methyl-2-[3-(trifluoromethyl)phenyl]butanamide is CC(C)C(O)(C(=O)NC1CCN(Cc2ccccc2)CC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-hydroxy-3-methyl-2-[3-(trifluoromethyl)phenyl]butanamide?
The InChIKey is ZVEVELMGTYGTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N2O2/c1-17(2)23(31,19-9-6-10-20(15-19)24(25,26)27)22(30)28-21-11-13-29(14-12-21)16-18-7-4-3-5-8-18/h3-10,15,17,21,31H,11-14,16H2,1-2H3,(H,28,30).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-hydroxy-3-methyl-2-[3-(trifluoromethyl)phenyl]butanamide?
N-(1-benzylpiperidin-4-yl)-2-hydroxy-3-methyl-2-[3-(trifluoromethyl)phenyl]butanamide has a molecular weight of 434.50 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-hydroxy-3-methyl-2-[3-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 68869568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).