N-(4-tert-butylphenyl)-4-hydroxy-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide

C24H29F3N2O3 — CID 50914406

IUPACN-(4-tert-butylphenyl)-4-hydroxy-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)C2(O)CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C24H29F3N2O3/c1-22(2,3)18-6-8-19(9-7-18)28-21(30)23(31)12-14-29(15-13-23)16-17-4-10-20(11-5-17)32-24(25,26)27/h4-11,31H,12-16H2,1-3H3,(H,28,30)
InChIKeyBHXXFMALZBMMKY-UHFFFAOYSA-N
MW450.50 g/mol
LogP4.85
Rot. Bonds5

About N-(4-tert-butylphenyl)-4-hydroxy-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide

N-(4-tert-butylphenyl)-4-hydroxy-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 50914406) has the molecular formula C24H29F3N2O3 and a molecular weight of 450.50 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-hydroxy-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-hydroxy-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide
PubChem CID50914406
Molecular FormulaC24H29F3N2O3
Molecular Weight450.50 g/mol
Exact Mass450.21
IUPAC NameN-(4-tert-butylphenyl)-4-hydroxy-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)C2(O)CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C24H29F3N2O3/c1-22(2,3)18-6-8-19(9-7-18)28-21(30)23(31)12-14-29(15-13-23)16-17-4-10-20(11-5-17)32-24(25,26)27/h4-11,31H,12-16H2,1-3H3,(H,28,30)
InChIKeyBHXXFMALZBMMKY-UHFFFAOYSA-N
XLogP4.85
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-tert-butylphenyl)-4-hydroxy-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide 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-(4-tert-butylphenyl)-4-hydroxy-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 50914983
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9129907
N-[4-[[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]methyl]phenyl]acetamide
CID 3793854
2,2-dimethyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]propanamide
CID 163352811
1-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propan-1-one
CID 86928582
N-(4-tert-butylphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107573
3-amino-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 107320803
2-bromo-2-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 114327805
ethane;1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 90733645
tert-butyl N-[3-oxo-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propyl]carbamate
CID 37358995
N-(4-tert-butylphenyl)-4-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]benzamide
CID 44530075
4-amino-N-(4-propan-2-ylphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 66921153

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-hydroxy-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-4-hydroxy-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide (CID 50914406) is N-(4-tert-butylphenyl)-4-hydroxy-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-hydroxy-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-4-hydroxy-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide is CC(C)(C)c1ccc(NC(=O)C2(O)CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-4-hydroxy-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is BHXXFMALZBMMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N2O3/c1-22(2,3)18-6-8-19(9-7-18)28-21(30)23(31)12-14-29(15-13-23)16-17-4-10-20(11-5-17)32-24(25,26)27/h4-11,31H,12-16H2,1-3H3,(H,28,30).
What are the key properties of N-(4-tert-butylphenyl)-4-hydroxy-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide?
N-(4-tert-butylphenyl)-4-hydroxy-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 450.50 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-4-hydroxy-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 50914406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).