4-(trifluoromethyl)-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]benzamide

C24H27F3N2O3 — CID 108558559

IUPAC4-(trifluoromethyl)-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]benzamide
SMILESCc1ccc(C)c(OCC(=O)N2CCC(NC(=O)c3ccc(C(F)(F)F)cc3)CC2)c1C
InChIInChI=1S/C24H27F3N2O3/c1-15-4-5-16(2)22(17(15)3)32-14-21(30)29-12-10-20(11-13-29)28-23(31)18-6-8-19(9-7-18)24(25,26)27/h4-9,20H,10-14H2,1-3H3,(H,28,31)
InChIKeyZGHLTHXHWILTSW-UHFFFAOYSA-N
MW448.49 g/mol
LogP4.43
Rot. Bonds5

About 4-(trifluoromethyl)-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]benzamide

4-(trifluoromethyl)-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]benzamide (PubChem CID 108558559) has the molecular formula C24H27F3N2O3 and a molecular weight of 448.49 g/mol. Its IUPAC name is 4-(trifluoromethyl)-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-(trifluoromethyl)-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]benzamide
PubChem CID108558559
Molecular FormulaC24H27F3N2O3
Molecular Weight448.49 g/mol
Exact Mass448.20
IUPAC Name4-(trifluoromethyl)-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]benzamide
SMILESCc1ccc(C)c(OCC(=O)N2CCC(NC(=O)c3ccc(C(F)(F)F)cc3)CC2)c1C
InChIInChI=1S/C24H27F3N2O3/c1-15-4-5-16(2)22(17(15)3)32-14-21(30)29-12-10-20(11-13-29)28-23(31)18-6-8-19(9-7-18)24(25,26)27/h4-9,20H,10-14H2,1-3H3,(H,28,31)
InChIKeyZGHLTHXHWILTSW-UHFFFAOYSA-N
XLogP4.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]propanamide
CID 108558496
N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 108553275
N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]naphthalene-1-carboxamide
CID 108554034
2-methylpropyl N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]carbamate
CID 108565236
2-(4-chlorophenyl)-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108565232
N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 108553238
4-tert-butyl-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108554173
4-chloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108550145
N-[1-(4-methylbenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 108558531
N-[1-(2-phenylacetyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 108553233
N-[1-(3-phenoxypropanoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 108558573
4-tert-butyl-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108554170

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]benzamide?
The IUPAC name of 4-(trifluoromethyl)-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]benzamide (CID 108558559) is 4-(trifluoromethyl)-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 4-(trifluoromethyl)-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]benzamide?
The canonical SMILES for 4-(trifluoromethyl)-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]benzamide is Cc1ccc(C)c(OCC(=O)N2CCC(NC(=O)c3ccc(C(F)(F)F)cc3)CC2)c1C.
What is the InChIKey of 4-(trifluoromethyl)-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]benzamide?
The InChIKey is ZGHLTHXHWILTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N2O3/c1-15-4-5-16(2)22(17(15)3)32-14-21(30)29-12-10-20(11-13-29)28-23(31)18-6-8-19(9-7-18)24(25,26)27/h4-9,20H,10-14H2,1-3H3,(H,28,31).
What are the key properties of 4-(trifluoromethyl)-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]benzamide?
4-(trifluoromethyl)-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]benzamide has a molecular weight of 448.49 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 108558559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).