2-(4-methylphenoxy)-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide

C22H23F3N2O3 — CID 108556994

IUPAC2-(4-methylphenoxy)-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
SMILESCc1ccc(OCC(=O)NC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1
InChIInChI=1S/C22H23F3N2O3/c1-15-6-8-17(9-7-15)30-14-20(28)26-16-10-12-27(13-11-16)21(29)18-4-2-3-5-19(18)22(23,24)25/h2-9,16H,10-14H2,1H3,(H,26,28)
InChIKeyFMSCQCCGJVHYSH-UHFFFAOYSA-N
MW420.43 g/mol
LogP3.81
Rot. Bonds5

About 2-(4-methylphenoxy)-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide

2-(4-methylphenoxy)-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide (PubChem CID 108556994) has the molecular formula C22H23F3N2O3 and a molecular weight of 420.43 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
PubChem CID108556994
Molecular FormulaC22H23F3N2O3
Molecular Weight420.43 g/mol
Exact Mass420.17
IUPAC Name2-(4-methylphenoxy)-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
SMILESCc1ccc(OCC(=O)NC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1
InChIInChI=1S/C22H23F3N2O3/c1-15-6-8-17(9-7-15)30-14-20(28)26-16-10-12-27(13-11-16)21(29)18-4-2-3-5-19(18)22(23,24)25/h2-9,16H,10-14H2,1H3,(H,26,28)
InChIKeyFMSCQCCGJVHYSH-UHFFFAOYSA-N
XLogP3.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methylphenyl)-4-oxo-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]butanamide
CID 108552068
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 71939910
3-methoxy-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]propanamide
CID 108556215
2-(4-methylphenoxy)-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]acetamide
CID 108557017
N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 75369326
N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 108555134
2-(4-acetylphenoxy)-N-[1-(4-methylbenzoyl)piperidin-4-yl]acetamide
CID 71933874
2-methoxy-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]benzamide
CID 108549236
N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108556946
tert-butyl N-[3-oxo-3-[[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]amino]propyl]carbamate
CID 108548270
2-(2-tert-butyl-4-methylphenoxy)-N-[1-(2-chlorobenzoyl)piperidin-4-yl]acetamide
CID 108552692
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108556948

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide (CID 108556994) is 2-(4-methylphenoxy)-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide is Cc1ccc(OCC(=O)NC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide?
The InChIKey is FMSCQCCGJVHYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O3/c1-15-6-8-17(9-7-15)30-14-20(28)26-16-10-12-27(13-11-16)21(29)18-4-2-3-5-19(18)22(23,24)25/h2-9,16H,10-14H2,1H3,(H,26,28).
What are the key properties of 2-(4-methylphenoxy)-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide?
2-(4-methylphenoxy)-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide has a molecular weight of 420.43 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 108556994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).